CAS RN: 17692-71-6
CAS Name: 4-[mercapto(4-morpholinyl)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-methoxy-4-[morpholino(sulfanyl)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2-methoxy-4-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2-methoxy-4-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: COC1=CC(=C(N2CCOCC2)S)C=CC1=O
Structure:
CAS RN: 3622-69-3
CAS Name: [(E)-octan-2-ylideneamino]urea
OPENEYE Name: [(E)-1-methylheptylideneamino]urea
IUPAC Name: [(E)-octan-2-ylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-octan-2-ylideneamino]urea
MOLECULAR FORMULA: C9H19N3O
MOLECULAR WEIGHT: 185.26666
SMILES: CCCCCC/C(=N/NC(=O)N)/C
Structure:
CAS RN: 7229-10-9
CAS Name: 5-(1-pyrrolidinylhydrazinylidene)-4-triazolecarboxamide
OPENEYE Name: 5-(pyrrolidin-1-ylhydrazono)triazole-4-carboxamide
IUPAC Name: 5-(pyrrolidin-1-ylhydrazinylidene)triazole-4-carboxamide
SYSTEMATIC NAME: 5-(pyrrolidin-1-ylhydrazinylidene)-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C7H11N7O
MOLECULAR WEIGHT: 209.20854
SMILES: C1CCN(C1)NN=C2C(=NN=N2)C(=O)N
Structure:
CAS RN: 28560-97-6
CAS Name: spiro[1,2-dihydrobenzo[f]indazole-3,9'-xanthene]-4,9-dione
OPENEYE Name: spiro[1,2-dihydrobenzo[f]indazole-3,9'-xanthene]-4,9-dione
IUPAC Name: spiro[1,2-dihydrobenzo[f]indazole-3,9'-xanthene]-4,9-dione
SYSTEMATIC NAME: spiro[1,2-dihydrobenzo[f]indazole-3,9'-xanthene]-4,9-dione
MOLECULAR FORMULA: C23H14N2O3
MOLECULAR WEIGHT: 366.36886
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)NNC34C5=CC=CC=C5OC6=CC=CC=C46
Structure:
CAS RN: 7505-35-3
CAS Name: 4-nitrobenzoic acid [10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[(E)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
IUPAC Name: [10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C34H47NO4
MOLECULAR WEIGHT: 533.74128
SMILES: CC(C)C/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C)C
Structure:
CAS RN: 23784-51-2
CAS Name: (E)-N-pentyl-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-pentyl-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-pentyl-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-pentyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CCCCCNC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 14990-09-1
CAS Name: (E)-3-phenyl-2-propenoic acid tert-butyl ester
OPENEYE Name: tert-butyl (E)-3-phenylprop-2-enoate
IUPAC Name: tert-butyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: tert-butyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 7510-82-9
CAS Name: (Z)-2-butenedioic acid bis[1-(2-ethylhexoxy)-1-oxopropan-2-yl] ester
OPENEYE Name: bis[2-(2-ethylhexoxy)-1-methyl-2-oxo-ethyl] (Z)-but-2-enedioate
IUPAC Name: bis[1-(2-ethylhexoxy)-1-oxopropan-2-yl] (Z)-but-2-enedioate
SYSTEMATIC NAME: bis[1-(2-ethylhexoxy)-1-oxidanylidene-propan-2-yl] (Z)-but-2-enedioate
MOLECULAR FORMULA: C26H44O8
MOLECULAR WEIGHT: 484.62276
SMILES: CCCCC(CC)COC(=O)C(C)OC(=O)/C=C\C(=O)OC(C)C(=O)OCC(CC)CCCC
Structure:
CAS RN: 7510-76-1
CAS Name: (Z)-2-methyl-3-phenyl-2-propenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (Z)-2-methyl-3-phenyl-prop-2-enoate
IUPAC Name: propan-2-yl (Z)-2-methyl-3-phenylprop-2-enoate
SYSTEMATIC NAME: propan-2-yl (Z)-2-methyl-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC(C)OC(=O)/C(=C\C1=CC=CC=C1)/C
Structure:
CAS RN: 7511-06-0
CAS Name: N-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]acetamide
OPENEYE Name: N-[(Z)-(2-oxoindolin-3-ylidene)methyl]acetamide
IUPAC Name: N-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]acetamide
SYSTEMATIC NAME: N-[(Z)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]ethanamide
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC(=O)N/C=C\1/C2=CC=CC=C2NC1=O
Structure:
CAS RN: 6206-85-5
CAS Name: (5E)-5-(nitrosomethylidene)-2-phenyl-1H-triazole
OPENEYE Name: (5E)-5-(nitrosomethylene)-2-phenyl-1H-triazole
IUPAC Name: (5E)-5-(nitrosomethylidene)-2-phenyl-1H-triazole
SYSTEMATIC NAME: (5E)-5-(nitrosomethylidene)-2-phenyl-1H-1,2,3-triazole
MOLECULAR FORMULA: C9H8N4O
MOLECULAR WEIGHT: 188.18602
SMILES: C1=CC=C(C=C1)N2N/C(=C/N=O)/C=N2
Structure:
CAS RN: 4403-24-1
CAS Name: (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoic acid
OPENEYE Name: (3E,5E)-2-oxo-6-phenyl-hexa-3,5-dienoic acid
IUPAC Name: (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoic acid
SYSTEMATIC NAME: (3E,5E)-2-oxidanylidene-6-phenyl-hexa-3,5-dienoic acid
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)C(=O)O
Structure:
CAS RN: 7702-80-9
CAS Name: (E)-4-(9H-fluoren-1-ylamino)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(9H-fluoren-1-ylamino)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(9H-fluoren-1-ylamino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(9H-fluoren-1-ylamino)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1C2=CC=CC=C2C3=C1C(=CC=C3)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 7510-69-2
CAS Name: (E)-4-oxo-4-[(9-oxo-1-fluorenyl)amino]-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-[(9-oxofluoren-1-yl)amino]but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-[(9-oxofluoren-1-yl)amino]but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[(9-oxidanylidenefluoren-1-yl)amino]but-2-enoic acid
MOLECULAR FORMULA: C17H11NO4
MOLECULAR WEIGHT: 293.27354
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 7510-65-8
CAS Name: (Z)-3-(2-chloroanilino)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-3-(2-chloroanilino)-2-cyano-prop-2-enoate
IUPAC Name: ethyl (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-[(2-chlorophenyl)amino]-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C12H11ClN2O2
MOLECULAR WEIGHT: 250.68094
SMILES: CCOC(=O)/C(=C\NC1=CC=CC=C1Cl)/C#N
Structure:
CAS RN: 7506-60-7
CAS Name: 6-phenyl-5H-imidazo[4,5-d]triazin-4-amine
OPENEYE Name: 6-phenyl-5H-imidazo[4,5-d]triazin-4-amine
IUPAC Name: 6-phenyl-5H-imidazo[4,5-d]triazin-4-amine
SYSTEMATIC NAME: 6-phenyl-5H-imidazo[4,5-d][1,2,3]triazin-4-amine
MOLECULAR FORMULA: C10H8N6
MOLECULAR WEIGHT: 212.21072
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C(=NN=N3)N
Structure:
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