CAS RN: 111757-17-6
CAS Name: N'-(6-oxo-1H-pyridin-2-yl)-N,N-dipropylmethanimidamide
OPENEYE Name: N'-(6-oxo-1H-pyridin-2-yl)-N,N-dipropyl-formamidine
IUPAC Name: N'-(6-oxo-1H-pyridin-2-yl)-N,N-dipropylmethanimidamide
SYSTEMATIC NAME: N'-(6-oxidanylidene-1H-pyridin-2-yl)-N,N-dipropyl-methanimidamide
MOLECULAR FORMULA: C12H19N3O
MOLECULAR WEIGHT: 221.29876
SMILES: CCCN(CCC)/C=N/C1=CC=CC(=O)N1
Structure:
CAS RN: 106028-58-4
CAS Name: tetralithium (3E)-6-amino-4-oxo-3-[[7-sulfonato-4-(4-sulfonatophenyl)azo-1-naphthalenyl]hydrazinylidene]naphthalene-2,7-disulfonate
OPENEYE Name: tetralithium (3E)-6-amino-4-oxo-3-[[7-sulfonato-4-(4-sulfonatophenyl)azo-1-naphthyl]hydrazono]naphthalene-2,7-disulfonate
IUPAC Name: tetralithium (3E)-6-amino-4-oxo-3-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: tetralithium (3E)-6-azanyl-4-oxidanylidene-3-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C26H15Li4N5O13S4
MOLECULAR WEIGHT: 761.447
SMILES: [Li+].[Li+].[Li+].[Li+].C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C\4/C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
Structure:
CAS RN: 88162-43-0
CAS Name: sulfuric acid [(E)-2-[3,4-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-mercapto-2-oxanyl]phenyl]ethylideneamino] ester
OPENEYE Name: [(E)-2-[3,4-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-2-yl]phenyl]ethylideneamino] hydrogen sulfate
IUPAC Name: [(E)-2-[3,4-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]phenyl]ethylideneamino] hydrogen sulfate
SYSTEMATIC NAME: [(E)-2-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]-3,4-dimethoxy-phenyl]ethylideneamino] hydrogen sulfate
MOLECULAR FORMULA: C16H23NO11S2
MOLECULAR WEIGHT: 469.48392
SMILES: COC1=C(C(=C(C=C1)C/C=N/OS(=O)(=O)O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S)OC
Structure:
CAS RN: 88141-37-1
CAS Name: 3-phenyl-1-cyclohex-2-enone oxime
OPENEYE Name: 3-phenylcyclohex-2-en-1-one oxime
IUPAC Name: (NE)-N-(3-phenylcyclohex-2-en-1-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3-phenylcyclohex-2-en-1-ylidene)hydroxylamine
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: C1CC(=C/C(=N/O)/C1)C2=CC=CC=C2
Structure:
CAS RN: 86102-39-8
CAS Name: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyiminoacetamide; manganese(2+); N-[2-[[mercapto(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide; N-[2-[[sulfanyl(sulfido)methyl]amino]ethyl]carbamodithioate
IUPAC Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide; manganese(2+); N-[2-[[sulfanyl(sulfido)methyl]amino]ethyl]carbamodithioate
SYSTEMATIC NAME: (2E)-2-cyano-N-(ethylcarbamoyl)-2-methoxyimino-ethanamide; manganese(2+); N-[2-[[sulfanidyl(sulfanyl)methyl]amino]ethyl]carbamodithioate
MOLECULAR FORMULA: C11H18MnN6O3S4
MOLECULAR WEIGHT: 465.497069
SMILES: CCNC(=O)NC(=O)/C(=N/OC)/C#N.C(CNC(=S)[S-])NC(S)[S-].[Mn+2]
Structure:
CAS RN: 85665-97-0
CAS Name: tetrasodium (3Z)-5-benzamido-3-[[5-[[4-fluoro-6-[(1-sulfonato-2-naphthalenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: tetrasodium (3Z)-5-benzamido-3-[[5-[[4-fluoro-6-[(1-sulfonato-2-naphthyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: tetrasodium (3Z)-5-benzamido-3-[[5-[[4-fluoro-6-[(1-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: tetrasodium (3Z)-5-benzamido-3-[[5-[[4-fluoranyl-6-[(1-sulfonatonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C36H21FN8Na4O14S4
MOLECULAR WEIGHT: 1028.814623
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)F)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 85559-97-3
CAS Name: (3E)-2-methyl-3-(methylcarbamoyloxyimino)butanoic acid ethyl ester
OPENEYE Name: ethyl (3E)-2-methyl-3-(methylcarbamoyloxyimino)butanoate
IUPAC Name: ethyl (3E)-2-methyl-3-(methylcarbamoyloxyimino)butanoate
SYSTEMATIC NAME: ethyl (3E)-2-methyl-3-(methylcarbamoyloxyimino)butanoate
MOLECULAR FORMULA: C9H16N2O4
MOLECULAR WEIGHT: 216.23434
SMILES: CCOC(=O)C(C)/C(=N/OC(=O)NC)/C
Structure:
CAS RN: 85559-91-7
CAS Name: N-methylcarbamic acid [(Z)-pentan-2-ylideneamino] ester
OPENEYE Name: [(Z)-1-methylbutylideneamino] N-methylcarbamate
IUPAC Name: [(Z)-pentan-2-ylideneamino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-pentan-2-ylideneamino] N-methylcarbamate
MOLECULAR FORMULA: C7H14N2O2
MOLECULAR WEIGHT: 158.19826
SMILES: CCC/C(=N\OC(=O)NC)/C
Structure:
CAS RN: 152432-43-4
CAS Name: [5-[2-amino-8-[(E)-(3,8-dimethyl-3aH-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-6-oxo-3H-purin-9-yl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate
OPENEYE Name: [5-[2-amino-8-[(E)-(3,8-dimethyl-3aH-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-6-oxo-3H-purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
IUPAC Name: [5-[2-amino-8-[(E)-(3,8-dimethyl-3aH-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-6-oxo-3H-purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [5-[2-azanyl-8-[(E)-(3,8-dimethyl-3aH-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-6-oxidanylidene-3H-purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C21H24N10O10P2
MOLECULAR WEIGHT: 638.423782
SMILES: CC1=CN=C2C=CC3C(=N/C(=N/C4=NC5=C(N4C6CC(C(O6)COP(=O)(O)O)OP(=O)(O)O)NC(=NC5=O)N)/N3C)C2=N1
Structure:
CAS RN: 118443-89-3
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid
MOLECULAR FORMULA: C23H26N6O9S3
MOLECULAR WEIGHT: 626.68234
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-].OS(=O)(=O)O
Structure:
CAS RN: 84267-55-0
CAS Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid
OPENEYE Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid
IUPAC Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid
SYSTEMATIC NAME: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: CC(C)(C)C1=CC(=C/C(=N\NC2=CC=CC=C2[N+](=O)[O-])/C1=O)CCC(=O)O
Structure:
CAS RN: 84926-27-2
CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-4,6,9,11-tetrahydroxy-9-[(1E)-1-[(4-methyl-1-piperazinyl)imino]ethyl]-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4,6,9,11-tetrahydroxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C31H38N4O9
MOLECULAR WEIGHT: 610.65482
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(/C(=N/N6CCN(CC6)C)/C)O)N)O
Structure:
CAS RN: 84890-27-7
CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-9-[(1E)-1-[(4-methyl-1-piperazinyl)imino]ethyl]-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C32H40N4O9
MOLECULAR WEIGHT: 624.6814
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(/C(=N/N6CCN(CC6)C)/C)O)N)O
Structure:
CAS RN: 84030-61-5
CAS Name: 2-[[didodecyl-[[2-(6-methylheptoxy)-2-oxoethyl]thio]stannyl]thio]acetic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl 2-[didodecyl-[2-(6-methylheptoxy)-2-oxo-ethyl]sulfanyl-stannyl]sulfanylacetate
IUPAC Name: 6-methylheptyl 2-[didodecyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
SYSTEMATIC NAME: 6-methylheptyl 2-[didodecyl-[2-(6-methylheptoxy)-2-oxidanylidene-ethyl]sulfanyl-stannyl]sulfanylethanoate
MOLECULAR FORMULA: C44H88O4S2Sn
MOLECULAR WEIGHT: 864.00712
SMILES: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
Structure:
CAS RN: 82985-96-4
CAS Name: (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester
OPENEYE Name: methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
IUPAC Name: methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
SYSTEMATIC NAME: methyl (1E)-2,2,2-tris(fluoranyl)-N-(methylcarbamoyloxy)ethanimidothioate
MOLECULAR FORMULA: C5H7F3N2O2S
MOLECULAR WEIGHT: 216.18149
SMILES: CNC(=O)O/N=C(\C(F)(F)F)/SC
Structure:
CAS RN: 82987-77-7
CAS Name: (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester
OPENEYE Name: methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
IUPAC Name: methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
SYSTEMATIC NAME: methyl (1E)-2,2,2-tris(fluoranyl)-N-(methylcarbamoyloxy)ethanimidothioate
MOLECULAR FORMULA: C5H7F3N2O2S
MOLECULAR WEIGHT: 216.18149
SMILES: CNC(=O)O/N=C(\C(F)(F)F)/SC
Structure:
CAS RN: 20813-01-8
CAS Name: N1-[4-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]-N4-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
OPENEYE Name: N1-[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]-N4-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
IUPAC Name: 1-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N1-[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]-N4-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C44H44N8O9S2
MOLECULAR WEIGHT: 892.99836
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C[N+](=CC=C4)C
Structure:
CAS RN: 81944-14-1
CAS Name: N1-[4-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]-N4-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
OPENEYE Name: N1-[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]-N4-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
IUPAC Name: 1-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N1-[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]-N4-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C44H44N8O9S2
MOLECULAR WEIGHT: 892.99836
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C[N+](=CC=C4)C
Structure:
CAS RN: 82417-84-3
CAS Name: (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-chloro-2-(p-tolylhydrazono)acetate
IUPAC Name: methyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
SYSTEMATIC NAME: methyl (2Z)-2-chloranyl-2-[(4-methylphenyl)hydrazinylidene]ethanoate
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: CC1=CC=C(C=C1)N/N=C(/C(=O)OC)\Cl
Structure:
CAS RN: 82417-83-2
CAS Name: (2Z)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-chloro-2-[(2-chlorophenyl)hydrazono]acetate
IUPAC Name: methyl (2Z)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetate
SYSTEMATIC NAME: methyl (2Z)-2-chloranyl-2-[(2-chlorophenyl)hydrazinylidene]ethanoate
MOLECULAR FORMULA: C9H8Cl2N2O2
MOLECULAR WEIGHT: 247.07802
SMILES: COC(=O)/C(=N/NC1=CC=CC=C1Cl)/Cl
Structure:
CAS RN: 82084-80-8
CAS Name: N-[amino-[(3E)-3-methoxyiminopropoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
OPENEYE Name: N-[amino-[(3E)-3-methoxyiminopropoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name: N-[amino-[(3E)-3-methoxyiminopropoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: N-[azanyl-[(3E)-3-methoxyiminopropoxy]phosphoryl]-2-chloranyl-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C8H18Cl2N3O3P
MOLECULAR WEIGHT: 306.126581
SMILES: CO/N=C/CCOP(=O)(N)N(CCCl)CCCl
Structure:
CAS RN: 81732-70-9
CAS Name: [(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-4-yl]oxyurea
OPENEYE Name: [(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]oxyurea
IUPAC Name: [(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]oxyurea
SYSTEMATIC NAME: 1-[[(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-4-yl]oxy]urea
MOLECULAR FORMULA: C8H17Cl2N4O4P
MOLECULAR WEIGHT: 335.124741
SMILES: C1CO[P@](=O)(N[C@@H]1ONC(=O)N)N(CCCl)CCCl
Structure:
CAS RN: 81512-64-3
CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-1-phenylmethanimine
OPENEYE Name: 1-phenyl-N-[4-(p-tolyl)thiazol-2-yl]methanimine
IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylmethanimine
SYSTEMATIC NAME: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-methanimine
MOLECULAR FORMULA: C17H14N2S
MOLECULAR WEIGHT: 278.37146
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)/N=C/C3=CC=CC=C3
Structure:
CAS RN: 83249-32-5
CAS Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-[6-amino-1-oxo-3-sulfonato-5-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]-2-naphthalenylidene]hydrazinyl]-2,5-diethoxyanilino]-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-[6-amino-1-oxo-3-sulfonato-5-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazino]-2-naphthylidene]hydrazino]-2,5-diethoxy-phenyl]carbamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-[6-amino-1-oxo-3-sulfonato-5-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]naphthalen-2-ylidene]hydrazinyl]-2,5-diethoxyphenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-3-[[4-[[4-[(2Z)-2-[6-azanyl-1-oxidanylidene-3-sulfonato-5-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]naphthalen-2-ylidene]hydrazinyl]-2,5-diethoxy-phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C36H29N11Na2O10S
MOLECULAR WEIGHT: 853.7277
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)C(=O)[O-])OCC)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5N/N=C/6\N=CN=N6)N)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 83137-15-9
CAS Name: disodium (3Z)-6-[(2,3-dibromo-1-oxopropyl)amino]-3-[[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium (3Z)-6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfonato-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium (3Z)-6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium (3Z)-6-[2,3-bis(bromanyl)propanoylamino]-3-[[5-[2,3-bis(bromanyl)propanoylamino]-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C22H16Br4N4Na2O9S2
MOLECULAR WEIGHT: 910.10938
SMILES: C1=CC2=C(C=C1NC(=O)C(CBr)Br)C(=O)/C(=N/NC3=C(C=CC(=C3)NC(=O)C(CBr)Br)S(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 158792-20-2
CAS Name: 1-hydroxy-2-[[(E)-(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid
OPENEYE Name: 1-hydroxy-2-[[(E)-(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid
IUPAC Name: 1-hydroxy-2-[[(E)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-[[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C16H20N4O6S
MOLECULAR WEIGHT: 396.4182
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C/C(=C\N/N=C(\N)/NO)/C(=O)C=C1
Structure:
CAS RN: 80623-34-3
CAS Name: N-[(E)-[(3E)-3-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]butan-2-ylidene]amino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-[(2E)-1-methyl-2-(pyridine-4-carbonylhydrazono)propylidene]amino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-[(3E)-3-(pyridine-4-carbonylhydrazinylidene)butan-2-ylidene]amino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-[(3E)-3-(pyridin-4-ylcarbonylhydrazinylidene)butan-2-ylidene]amino]pyridine-4-carboxamide
MOLECULAR FORMULA: C16H16N6O2
MOLECULAR WEIGHT: 324.33724
SMILES: C/C(=N\NC(=O)C1=CC=NC=C1)/C(=N/NC(=O)C2=CC=NC=C2)/C
Structure:
CAS RN: 80581-95-9
CAS Name: dipotassium (2S,3R)-3-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonate
OPENEYE Name: dipotassium (2S,3R)-3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonate
IUPAC Name: dipotassium (2S,3R)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate
SYSTEMATIC NAME: dipotassium (2S,3R)-3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonate
MOLECULAR FORMULA: C13H16K2N5O8S2+
MOLECULAR WEIGHT: 512.62144
SMILES: C[C@H]1[C@H](C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N.[K+].[K+]
Structure:
CAS RN: 79067-73-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H26Br4N4O8
MOLECULAR WEIGHT: 938.20824
SMILES: C1CNC(=O)/C(=N\O)/CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)C/C(=N/O)/C(=O)N/C=C\C4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)Br)O)Br
Structure:
CAS RN: 80930-66-1
CAS Name: 4-[[4-(dimethylamino)-5-[[4-hydroxy-5-[[(5Z)-5-hydroxyimino-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-[(5Z)-5-hydroxyimino-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-[(5Z)-5-hydroxyimino-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 4-[4-(dimethylamino)-5-[5-[(5Z)-5-hydroxyimino-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C42H54N2O15
MOLECULAR WEIGHT: 826.88256
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC/C(=N/O)/C(O7)C)O)N(C)C)O
Structure:
CAS RN: 79067-75-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H27Br5N4O8
MOLECULAR WEIGHT: 1019.12018
SMILES: C1CNC(=O)/C(=N\O)/CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(C/C(=N/O)/C(=O)NCCC4=CC(=C(C(=C4)Br)O)OC5=C(C=C1C=C5)Br)C=C3Br)Br
Structure:
CAS RN: 80803-92-5
CAS Name: 3-[(E)-2-furanylmethoxyiminomethyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [cyano-(3-phenoxyphenyl)methyl] 3-[(E)-2-furylmethoxyiminomethyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-[(E)-furan-2-ylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [cyano-(3-phenoxyphenyl)methyl] 3-[(E)-furan-2-ylmethoxyiminomethyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C26H24N2O5
MOLECULAR WEIGHT: 444.47916
SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=N/OCC4=CC=CO4)C
Structure:
CAS RN: 78358-34-6
CAS Name: 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-[(3-chlorophenyl)-oxomethyl]-2-indolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-[(E)-(carbamothioylhydrazono)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate
IUPAC Name: ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorophenyl)carbonyl-indole-2-carboxylate
MOLECULAR FORMULA: C20H17ClN4O3S
MOLECULAR WEIGHT: 428.89198
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl)/C=N/NC(=S)N
Structure:
CAS RN: 77313-12-3
CAS Name: 3-amino-N,N'-bis[(E)-1-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride
OPENEYE Name: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride
IUPAC Name: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride
SYSTEMATIC NAME: 3-azanyl-N,N'-bis[(E)-1-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride
MOLECULAR FORMULA: C57H66Cl3N7O18
MOLECULAR WEIGHT: 1243.52904
SMILES: CC1OC(CC(C1O)N)OC2C3=C(C4=C(C(=O)C5=CC=CC=C5C4=O)C(=C3CC(C2)(O)/C(=N/NC(=O)CC(N)CC(=O)N/N=C(/C6(CC7=C(C8=C(C(=O)C9=CC=CC=C9C8=O)C(=C7C(C6)OC1OC(C(C(C1)N)O)C)O)O)O)\C)/C)O)O.Cl.Cl.Cl
Structure:
CAS RN: 78776-18-8
CAS Name: disodium (3Z)-6-oxo-3-[[4-[[oxo-[4-[(2E)-2-(4-oxo-3-sulfonato-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]methyl]amino]phenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3Z)-6-oxo-3-[[4-[[4-[(2E)-2-(4-oxo-3-sulfonato-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3Z)-6-oxo-3-[[4-[[4-[(2E)-2-(4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3Z)-6-oxidanylidene-3-[[4-[[4-[(2E)-2-(4-oxidanylidene-3-sulfonato-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C26H18N6Na2O8S
MOLECULAR WEIGHT: 620.50106
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)S(=O)(=O)[O-])N/N=C\4/C=CC(=O)C(=C4)C(=O)[O-].[Na+].[Na+]
Structure:
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