CAS RN: 55936-40-8
CAS Name: (4Z)-2-nitro-4-(phenylhydrazinylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: (4Z)-2-nitro-4-(phenylhydrazono)cyclohexa-2,5-dien-1-one
IUPAC Name: (4Z)-2-nitro-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-2-nitro-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C12H9N3O3
MOLECULAR WEIGHT: 243.21816
SMILES: C1=CC=C(C=C1)N/N=C\2/C=CC(=O)C(=C2)[N+](=O)[O-]
Structure:
CAS RN: 55854-53-0
CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(Z)-[(6,7-dimethoxy-1-isoquinolinyl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone
OPENEYE Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methylene]amino]oxy-ethanone
IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone
SYSTEMATIC NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxy-ethanone
MOLECULAR FORMULA: C34H36N4O8
MOLECULAR WEIGHT: 628.67164
SMILES: COC1=C(C=C(C=C1)/C(=N/OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)/C5=NC=CC6=CC(=C(C=C65)OC)OC)OC
Structure:
CAS RN: 29335-36-2
CAS Name: N'-hydroxypropanimidamide
OPENEYE Name: N'-hydroxypropanamidine
IUPAC Name: N'-hydroxypropanimidamide
SYSTEMATIC NAME: N'-oxidanylpropanimidamide
MOLECULAR FORMULA: C3H8N2O
MOLECULAR WEIGHT: 88.10842
SMILES: CC/C(=N/O)/N
Structure:
CAS RN: 248582-73-2
CAS Name: (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
IUPAC Name: methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
SYSTEMATIC NAME: methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]ethanoate
MOLECULAR FORMULA: C18H16F3NO4
MOLECULAR WEIGHT: 367.31915
SMILES: COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=CC=CC=C2C(F)(F)F
Structure:
CAS RN: 132067-89-1
CAS Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate
IUPAC Name: ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoate
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CCOC(=O)/C=C\1/C2=CC=CC=C2CC(N1)(C)C
Structure:
CAS RN: 42753-53-7
CAS Name: (3Z)-3-[[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3Z)-3-[[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3Z)-3-[[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3Z)-3-[[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C19H16N4O5S
MOLECULAR WEIGHT: 412.41914
SMILES: CC1=C(N=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C=CC(=O)C(=C3)C(=O)O
Structure:
CAS RN: 42024-79-3
CAS Name: 2-[4-bromo-2-(1-piperidinylmethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
OPENEYE Name: 2-[4-bromo-2-(1-piperidylmethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methyleneamino]acetamide
IUPAC Name: 2-[4-bromo-2-(piperidin-1-ylmethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[4-bromanyl-2-(piperidin-1-ylmethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C22H26BrN3O3
MOLECULAR WEIGHT: 460.36414
SMILES: COC1=CC=C(C=C1)/C=N\NC(=O)COC2=C(C=C(C=C2)Br)CN3CCCCC3
Structure:
CAS RN: 42024-77-1
CAS Name: 2-[4-bromo-2-(1-piperidinylmethyl)phenoxy]-N-[(Z)-(phenylmethylene)amino]acetamide
OPENEYE Name: N-[(Z)-benzylideneamino]-2-[4-bromo-2-(1-piperidylmethyl)phenoxy]acetamide
IUPAC Name: N-[(Z)-benzylideneamino]-2-[4-bromo-2-(piperidin-1-ylmethyl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-bromanyl-2-(piperidin-1-ylmethyl)phenoxy]-N-[(Z)-(phenylmethylidene)amino]ethanamide
MOLECULAR FORMULA: C21H24BrN3O2
MOLECULAR WEIGHT: 430.33816
SMILES: C1CCN(CC1)CC2=C(C=CC(=C2)Br)OCC(=O)N/N=C\C3=CC=CC=C3
Structure:
CAS RN: 42024-71-5
CAS Name: 2-[4-bromo-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
OPENEYE Name: 2-[4-bromo-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methyleneamino]acetamide
IUPAC Name: 2-[4-bromo-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[4-bromanyl-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(4-methoxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C21H26BrN3O3
MOLECULAR WEIGHT: 448.35344
SMILES: CCN(CC)CC1=C(C=CC(=C1)Br)OCC(=O)N/N=C\C2=CC=C(C=C2)OC
Structure:
CAS RN: 42024-69-1
CAS Name: 2-[4-bromo-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(phenylmethylene)amino]acetamide
OPENEYE Name: N-[(Z)-benzylideneamino]-2-[4-bromo-2-(diethylaminomethyl)phenoxy]acetamide
IUPAC Name: N-[(Z)-benzylideneamino]-2-[4-bromo-2-(diethylaminomethyl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-bromanyl-2-(diethylaminomethyl)phenoxy]-N-[(Z)-(phenylmethylidene)amino]ethanamide
MOLECULAR FORMULA: C20H24BrN3O2
MOLECULAR WEIGHT: 418.32746
SMILES: CCN(CC)CC1=C(C=CC(=C1)Br)OCC(=O)N/N=C\C2=CC=CC=C2
Structure:
CAS RN: 39209-25-1
CAS Name: (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
OPENEYE Name: (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
IUPAC Name: (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
SYSTEMATIC NAME: (1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
MOLECULAR FORMULA: C8H8ClN3O2
MOLECULAR WEIGHT: 213.62102
SMILES: C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/Cl
Structure:
CAS RN: 39195-82-9
CAS Name: 3,3-dimethyl-1-(methylthio)-2-butanone oxime
OPENEYE Name: 3,3-dimethyl-1-methylsulfanyl-butan-2-one oxime
IUPAC Name: (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3,3-dimethyl-1-methylsulfanyl-butan-2-ylidene)hydroxylamine
MOLECULAR FORMULA: C7H15NOS
MOLECULAR WEIGHT: 161.2651
SMILES: CC(C)(C)/C(=N\O)/CSC
Structure:
CAS RN: 104192-28-1
CAS Name: 1,8-bis(4-hexoxyphenyl)octane-1,8-dione oxime
OPENEYE Name: 1,8-bis(4-hexoxyphenyl)octane-1,8-dione oxime
IUPAC Name: (NZ)-N-[(8Z)-1,8-bis(4-hexoxyphenyl)-8-hydroxyiminooctylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(8Z)-1,8-bis(4-hexoxyphenyl)-8-hydroxyimino-octylidene]hydroxylamine
MOLECULAR FORMULA: C32H48N2O4
MOLECULAR WEIGHT: 524.73452
SMILES: CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
Structure:
CAS RN: 196808-24-9
CAS Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]propanoic acid
OPENEYE Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoic acid
IUPAC Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
MOLECULAR FORMULA: C30H29N3O4
MOLECULAR WEIGHT: 495.56896
SMILES: CN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4
Structure:
CAS RN: 38063-86-4
CAS Name: 1-(4-methyl-1-piperazinyl)-2-[(Z)-1-phenylethylideneamino]oxyethanone
OPENEYE Name: 1-(4-methylpiperazin-1-yl)-2-[(Z)-1-phenylethylideneamino]oxy-ethanone
IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[(Z)-1-phenylethylideneamino]oxyethanone
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)-2-[(Z)-1-phenylethylideneamino]oxy-ethanone
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: C/C(=N/OCC(=O)N1CCN(CC1)C)/C2=CC=CC=C2
Structure:
CAS RN: 38063-84-2
CAS Name: 1-(4-morpholinyl)-2-[(Z)-1-phenylethylideneamino]oxyethanone
OPENEYE Name: 1-morpholino-2-[(Z)-1-phenylethylideneamino]oxy-ethanone
IUPAC Name: 1-morpholin-4-yl-2-[(Z)-1-phenylethylideneamino]oxyethanone
SYSTEMATIC NAME: 1-morpholin-4-yl-2-[(Z)-1-phenylethylideneamino]oxy-ethanone
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: C/C(=N/OCC(=O)N1CCOCC1)/C2=CC=CC=C2
Structure:
CAS RN: 38063-83-1
CAS Name: N-[2-(4-morpholinyl)ethyl]-2-[(Z)-1-phenylethylideneamino]oxyacetamide
OPENEYE Name: N-(2-morpholinoethyl)-2-[(Z)-1-phenylethylideneamino]oxy-acetamide
IUPAC Name: N-(2-morpholin-4-ylethyl)-2-[(Z)-1-phenylethylideneamino]oxyacetamide
SYSTEMATIC NAME: N-(2-morpholin-4-ylethyl)-2-[(Z)-1-phenylethylideneamino]oxy-ethanamide
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: C/C(=N/OCC(=O)NCCN1CCOCC1)/C2=CC=CC=C2
Structure:
CAS RN: 36874-69-8
CAS Name: (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-[(3-chlorophenyl)hydrazono]-2-cyano-acetate
IUPAC Name: methyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: methyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C10H8ClN3O2
MOLECULAR WEIGHT: 237.64242
SMILES: COC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C#N
Structure:
CAS RN: 36874-67-6
CAS Name: (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-[(3-chlorophenyl)hydrazono]-2-cyano-acetate
IUPAC Name: ethyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: ethyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: CCOC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C#N
Structure:
CAS RN: 13002-08-9
CAS Name: N-(2-chloro-1-oxoethyl)carbamic acid [(3R,6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl] ester
OPENEYE Name: [(3R,6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
IUPAC Name: [(3R,6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
SYSTEMATIC NAME: [(3R,6R,7S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloranylethanoyl)carbamate
MOLECULAR FORMULA: C19H28ClNO6
MOLECULAR WEIGHT: 401.88172
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C
Structure:
CAS RN: 34646-90-7
CAS Name: N-methylcarbamic acid [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] ester
OPENEYE Name: [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
IUPAC Name: [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
SYSTEMATIC NAME: [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
MOLECULAR FORMULA: C11H13N3O4
MOLECULAR WEIGHT: 251.23862
SMILES: CNC(=O)OC1=CC=CC=C1/C=N\OC(=O)NC
Structure:
CAS RN: 34522-46-8
CAS Name: (3E)-3-(12H-benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethyl-1-propanamine; (E)-2-butenedioic acid
OPENEYE Name: (3E)-3-(12H-benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethyl-propan-1-amine; fumaric acid
IUPAC Name: (3E)-3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (3E)-3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethyl-propan-1-amine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C25H25NO6
MOLECULAR WEIGHT: 435.4691
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 33514-91-9
CAS Name: (3Z,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (3Z,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (3Z,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (3Z,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C25H32N2O4
MOLECULAR WEIGHT: 424.53258
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C/C(=N\OC5=CC=C(C=C5)[N+](=O)[O-])/CC[C@]34C
Structure:
CAS RN: 33514-83-9
CAS Name: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (3Z,8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C25H31N3O6
MOLECULAR WEIGHT: 469.53014
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C/C(=N\OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])/CC[C@]34C
Structure:
CAS RN: 30411-35-9
CAS Name: (1Z)-N-[[acetyl(methyl)amino]-oxomethoxy]ethanimidothioic acid ethyl ester
OPENEYE Name: ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
IUPAC Name: ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
SYSTEMATIC NAME: ethyl (1Z)-N-[ethanoyl(methyl)carbamoyl]oxyethanimidothioate
MOLECULAR FORMULA: C8H14N2O3S
MOLECULAR WEIGHT: 218.27336
SMILES: CCS/C(=N\OC(=O)N(C)C(=O)C)/C
Structure:
CAS RN: 30411-26-8
CAS Name: (1Z)-N-[[acetyl(methyl)amino]-oxomethoxy]ethanimidothioic acid methyl ester
OPENEYE Name: methyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
IUPAC Name: methyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
SYSTEMATIC NAME: methyl (1Z)-N-[ethanoyl(methyl)carbamoyl]oxyethanimidothioate
MOLECULAR FORMULA: C7H12N2O3S
MOLECULAR WEIGHT: 204.24678
SMILES: C/C(=N/OC(=O)N(C)C(=O)C)/SC
Structure:
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