CAS RN: 19485-76-8
CAS Name: (E)-9-octadecenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H78O2
MOLECULAR WEIGHT: 651.09962
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 92835-19-3
CAS Name: (2E)-2-[(2-methyl-4-oxo-3-quinazolinyl)imino]-3-phenyl-4-thiazolidinone
OPENEYE Name: (2E)-2-(2-methyl-4-oxo-quinazolin-3-yl)imino-3-phenyl-thiazolidin-4-one
IUPAC Name: (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-3-phenyl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (2E)-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)imino-3-phenyl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C18H14N4O2S
MOLECULAR WEIGHT: 350.39436
SMILES: CC1=NC2=CC=CC=C2C(=O)N1/N=C/3\N(C(=O)CS3)C4=CC=CC=C4
Structure:
CAS RN: 53338-83-3
CAS Name: 3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine
OPENEYE Name: N-(isopropylideneamino)-3-methyl-1,3-benzothiazol-2-imine
IUPAC Name: 3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine
SYSTEMATIC NAME: 3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CC(=N/N=C/1\N(C2=CC=CC=C2S1)C)C
Structure:
CAS RN: 118552-63-9
CAS Name: 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)-2-propanone oxime
OPENEYE Name: 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-one oxime
IUPAC Name: (NZ)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CC(C)NC/C(=N/O)/COC1=CC=CC=C1CC=C
Structure:
CAS RN: 109322-09-0
CAS Name: N-[(Z)-1-(4-bromo-3-nitrophenyl)ethylideneamino]-2-(2-chloro-6-indolo[2,3-b]quinoxalinyl)acetamide
OPENEYE Name: N-[(Z)-1-(4-bromo-3-nitro-phenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
IUPAC Name: N-[(Z)-1-(4-bromo-3-nitrophenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
SYSTEMATIC NAME: N-[(Z)-1-(4-bromanyl-3-nitro-phenyl)ethylideneamino]-2-(2-chloranylindolo[2,3-b]quinoxalin-6-yl)ethanamide
MOLECULAR FORMULA: C24H16BrClN6O3
MOLECULAR WEIGHT: 551.77924
SMILES: C/C(=N/NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC(=C(C=C5)Br)[N+](=O)[O-]
Structure:
CAS RN: 109322-08-9
CAS Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(2-chloro-6-indolo[2,3-b]quinoxalinyl)acetamide
OPENEYE Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
IUPAC Name: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
SYSTEMATIC NAME: N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(2-chloranylindolo[2,3-b]quinoxalin-6-yl)ethanamide
MOLECULAR FORMULA: C24H19ClN6O
MOLECULAR WEIGHT: 442.90026
SMILES: C/C(=N/NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC=C(C=C5)N
Structure:
CAS RN: 109322-07-8
CAS Name: 2-(2-chloro-6-indolo[2,3-b]quinoxalinyl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
OPENEYE Name: 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(Z)-1-(p-tolyl)ethylideneamino]acetamide
IUPAC Name: 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
SYSTEMATIC NAME: 2-(2-chloranylindolo[2,3-b]quinoxalin-6-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]ethanamide
MOLECULAR FORMULA: C25H20ClN5O
MOLECULAR WEIGHT: 441.9122
SMILES: CC1=CC=C(C=C1)/C(=N\NC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42)/C
Structure:
CAS RN: 108679-69-2
CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N'-[(Z)-3-methylbutylideneamino]oxamide
OPENEYE Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N'-[(Z)-3-methylbutylideneamino]oxamide
IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N'-[(Z)-3-methylbutylideneamino]oxamide
SYSTEMATIC NAME: N-(6-methyl-1,3-benzothiazol-2-yl)-N'-[(Z)-3-methylbutylideneamino]ethanediamide
MOLECULAR FORMULA: C15H18N4O2S
MOLECULAR WEIGHT: 318.39402
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)N/N=C\CC(C)C
Structure:
CAS RN: 100857-74-7
CAS Name: N,N-diethyl-2-[(Z)-(2-propoxy-4-quinolinyl)methylideneamino]oxyethanamine
OPENEYE Name: N,N-diethyl-2-[(Z)-(2-propoxy-4-quinolyl)methyleneamino]oxy-ethanamine
IUPAC Name: N,N-diethyl-2-[(Z)-(2-propoxyquinolin-4-yl)methylideneamino]oxyethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[(Z)-(2-propoxyquinolin-4-yl)methylideneamino]oxy-ethanamine
MOLECULAR FORMULA: C19H27N3O2
MOLECULAR WEIGHT: 329.43658
SMILES: CCCOC1=NC2=CC=CC=C2C(=C1)/C=N\OCCN(CC)CC
Structure:
CAS RN: 99840-03-6
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(Z)-(phenylmethylene)amino]ethanamine
OPENEYE Name: N-[(Z)-benzylideneamino]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name: N-[(Z)-benzylideneamino]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(Z)-(phenylmethylidene)amino]ethanamine
MOLECULAR FORMULA: C11H14Cl2N2
MOLECULAR WEIGHT: 245.14826
SMILES: C1=CC=C(C=C1)/C=N\N(CCCl)CCCl
Structure:
CAS RN: 50-14-6
CAS Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C28H44O
MOLECULAR WEIGHT: 396.64836
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C
Structure:
CAS RN: 92167-89-0
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
MOLECULAR FORMULA: C12H16Cl2N2
MOLECULAR WEIGHT: 259.17484
SMILES: C/C(=N/N(CCCl)CCCl)/C1=CC=CC=C1
Structure:
CAS RN: 90000-62-7
CAS Name: [(Z)-[2-hydroxy-1-(5-nitro-2-furanyl)ethylidene]amino]urea
OPENEYE Name: [(Z)-[2-hydroxy-1-(5-nitro-2-furyl)ethylidene]amino]urea
IUPAC Name: [(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
SYSTEMATIC NAME: 1-[(Z)-[1-(5-nitrofuran-2-yl)-2-oxidanyl-ethylidene]amino]urea
MOLECULAR FORMULA: C7H8N4O5
MOLECULAR WEIGHT: 228.16222
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C(=N\NC(=O)N)/CO
Structure:
CAS RN: 87936-82-1
CAS Name: butanedioic acid; 1-[(2E)-2-(phenylmethylene)cyclohexyl]azetidine
OPENEYE Name: 1-[(2E)-2-benzylidenecyclohexyl]azetidine; succinic acid
IUPAC Name: 1-[(2E)-2-benzylidenecyclohexyl]azetidine; butanedioic acid
SYSTEMATIC NAME: butanedioic acid; 1-[(2E)-2-(phenylmethylidene)cyclohexyl]azetidine
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: C1CC/C(=C\C2=CC=CC=C2)/C(C1)N3CCC3.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 75358-37-1
CAS Name: (NE)-N-(1-methyl-2-pyrrolidinylidene)-N'-phenyl-4-morpholinecarboximidamide
OPENEYE Name: (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboxamidine
IUPAC Name: (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SYSTEMATIC NAME: (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboximidamide
MOLECULAR FORMULA: C16H22N4O
MOLECULAR WEIGHT: 286.37208
SMILES: CN\1CCC/C1=N\C(=NC2=CC=CC=C2)N3CCOCC3
Structure:
CAS RN: 78439-06-2
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate
MOLECULAR FORMULA: C22H32N6O12S2
MOLECULAR WEIGHT: 636.65248
SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O
Structure:
CAS RN: 116853-25-9
CAS Name: (6R,7R)-3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylammonio]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-3-[(E)-3-[(2-amino-2-oxo-ethyl)-ethyl-methyl-ammonio]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-3-[(E)-3-[(2-azanyl-2-oxidanylidene-ethyl)-ethyl-methyl-azaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C20H25FN8O6S2
MOLECULAR WEIGHT: 556.590903
SMILES: CC[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCF)/C3=NSC(=N3)N)SC1)C(=O)[O-])CC(=O)N
Structure:
CAS RN: 73816-74-7
CAS Name: trisodium (3Z)-5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-5-[[4-chloranyl-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C28H21ClN7Na3O10S3
MOLECULAR WEIGHT: 816.12455
SMILES: CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N\NC5=C(C=C(C=C5)C)S(=O)(=O)[O-])/C4=O)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
Structure:
CAS RN: 73664-58-1
CAS Name: (1Z)-2,4,6-trichloro-3-hydroxybenzaldehyde oxime
OPENEYE Name: (1Z)-2,4,6-trichloro-3-hydroxy-benzaldehyde oxime
IUPAC Name: 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-3-[(Z)-hydroxyiminomethyl]phenol
MOLECULAR FORMULA: C7H4Cl3NO2
MOLECULAR WEIGHT: 240.47116
SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)/C=N\O)Cl
Structure:
CAS RN: 73663-80-6
CAS Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone oxime
OPENEYE Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone oxime
IUPAC Name: 3-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenoxy]propane-1,2-diol
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: C/C(=N/O)/C1=CC=C(C=C1)OCC(CO)O
Structure:
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