CAS RN: 96735-88-5
CAS Name: 2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)acetic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoate
MOLECULAR FORMULA: C16H13NO7
MOLECULAR WEIGHT: 331.27692
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O
Structure:
CAS RN: 137374-74-4
CAS Name: 3-(2-fluorophenoxy)-7-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-(2-fluorophenoxy)-7-hydroxy-chromen-4-one
IUPAC Name: 3-(2-fluorophenoxy)-7-hydroxychromen-4-one
SYSTEMATIC NAME: 3-(2-fluoranylphenoxy)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9FO4
MOLECULAR WEIGHT: 272.227963
SMILES: C1=CC=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)O)F
Structure:
CAS RN: 124330-34-3
CAS Name: 3-(4-fluorophenoxy)-7-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-(4-fluorophenoxy)-7-hydroxy-chromen-4-one
IUPAC Name: 3-(4-fluorophenoxy)-7-hydroxychromen-4-one
SYSTEMATIC NAME: 3-(4-fluoranylphenoxy)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9FO4
MOLECULAR WEIGHT: 272.227963
SMILES: C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)F
Structure:
CAS RN: 41780-84-1
CAS Name: N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
OPENEYE Name: N-[(Z)-[cyclopropyl(phenyl)methylene]amino]-4-methyl-benzenesulfonamide
IUPAC Name: N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C17H18N2O2S
MOLECULAR WEIGHT: 314.40202
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2CC2)\C3=CC=CC=C3
Structure:
CAS RN: 6748-68-1
CAS Name: 8-acetyl-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 8-acetyl-7-hydroxy-chromen-2-one
IUPAC Name: 8-acetyl-7-hydroxychromen-2-one
SYSTEMATIC NAME: 8-ethanoyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C11H8O4
MOLECULAR WEIGHT: 204.17882
SMILES: CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O
Structure:
CAS RN: 5893-03-8
CAS Name: (9Z)-9-hydroxyimino-1-fluorenecarboxylic acid
OPENEYE Name: (9Z)-9-hydroxyiminofluorene-1-carboxylic acid
IUPAC Name: (9Z)-9-hydroxyiminofluorene-1-carboxylic acid
SYSTEMATIC NAME: (9Z)-9-hydroxyiminofluorene-1-carboxylic acid
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C\2C(=C1)C3=C(/C2=N\O)C(=CC=C3)C(=O)O
Structure:
CAS RN: 154910-41-5
CAS Name: 2-(3-methylphenoxy)-N'-(2-oxo-3-indolyl)acetohydrazide
OPENEYE Name: 2-(3-methylphenoxy)-N'-(2-oxoindol-3-yl)acetohydrazide
IUPAC Name: 2-(3-methylphenoxy)-N'-(2-oxoindol-3-yl)acetohydrazide
SYSTEMATIC NAME: 2-(3-methylphenoxy)-N'-(2-oxidanylideneindol-3-yl)ethanehydrazide
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CC1=CC(=CC=C1)OCC(=O)NNC2=C3C=CC=CC3=NC2=O
Structure:
CAS RN: 15985-17-8
CAS Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(4-chlorophenyl)methylene]-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C16H11ClN2OS
MOLECULAR WEIGHT: 314.78934
SMILES: C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
Structure:
CAS RN: 114506-90-0
CAS Name: (2E)-2-(phenylmethylene)-1-cyclohexanone oxime
OPENEYE Name: (2E)-2-benzylidenecyclohexanone oxime
IUPAC Name: (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(2E)-2-(phenylmethylidene)cyclohexylidene]hydroxylamine
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: C1CC/C(=N\O)/C(=C/C2=CC=CC=C2)/C1
Structure:
CAS RN: 95167-41-2
CAS Name: N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
OPENEYE Name: N-[(Z)-[4-(diethylamino)phenyl]methyleneamino]-4-hydroxy-benzamide
IUPAC Name: N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SYSTEMATIC NAME: N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C18H21N3O2
MOLECULAR WEIGHT: 311.37824
SMILES: CCN(CC)C1=CC=C(C=C1)/C=N\NC(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 128366-06-3
CAS Name: (3E)-3-[hydroxy-(3-methylbutylamino)methylidene]-1H-quinoline-2,4-dione
OPENEYE Name: (3E)-3-[hydroxy-(isopentylamino)methylene]-1H-quinoline-2,4-dione
IUPAC Name: (3E)-3-[hydroxy-(3-methylbutylamino)methylidene]-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3E)-3-[(3-methylbutylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CC(C)CCN/C(=C\1/C(=O)C2=CC=CC=C2NC1=O)/O
Structure:
CAS RN: 82276-93-5
CAS Name: (4E)-4-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone
OPENEYE Name: (4E)-4-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one
IUPAC Name: (4E)-4-[[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one
SYSTEMATIC NAME: (4E)-5-(hydroxymethyl)-4-[[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]methylidene]-2-methyl-pyridin-3-one
MOLECULAR FORMULA: C16H19N3O4
MOLECULAR WEIGHT: 317.33976
SMILES: CC1=NC=C(C(=C1O)CN/C=C/2\C(=CN=C(C2=O)C)CO)CO
Structure:
CAS RN: 85124-16-9
CAS Name: 5-chloro-3-(hydroxyamino)-2-indolone
OPENEYE Name: 5-chloro-3-(hydroxyamino)indol-2-one
IUPAC Name: 5-chloro-3-(hydroxyamino)indol-2-one
SYSTEMATIC NAME: 5-chloranyl-3-(oxidanylamino)indol-2-one
MOLECULAR FORMULA: C8H5ClN2O2
MOLECULAR WEIGHT: 196.5905
SMILES: C1=CC2=NC(=O)C(=C2C=C1Cl)NO
Structure:
CAS RN: 6644-08-2
CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide
OPENEYE Name: 2-(2-isopropyl-5-methyl-phenoxy)-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
SYSTEMATIC NAME: 2-(5-methyl-2-propan-2-yl-phenoxy)-N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC=C2C=CC(=O)C=C2
Structure:
CAS RN: 61880-85-1
CAS Name: (E)-(3-hydroxy-2-methyl-4-quinazolinylidene)-nitrosomethanol
OPENEYE Name: (E)-(3-hydroxy-2-methyl-quinazolin-4-ylidene)-nitroso-methanol
IUPAC Name: (E)-(3-hydroxy-2-methylquinazolin-4-ylidene)-nitrosomethanol
SYSTEMATIC NAME: (E)-(2-methyl-3-oxidanyl-quinazolin-4-ylidene)-nitroso-methanol
MOLECULAR FORMULA: C10H9N3O3
MOLECULAR WEIGHT: 219.19676
SMILES: CC1=NC2=CC=CC=C2/C(=C(/N=O)\O)/N1O
Structure:
CAS RN: 147057-12-3
CAS Name: 1-methyl-5H-pyrido[4,3-b]indole
OPENEYE Name: 1-methyl-5H-pyrido[4,3-b]indole
IUPAC Name: 1-methyl-5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 1-methyl-5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C12H10N2
MOLECULAR WEIGHT: 182.2212
SMILES: CC1=NC=CC2=C1C3=CC=CC=C3N2
Structure:
CAS RN: 58096-07-4
CAS Name: 3-methyl-5H-pyrido[4,3-b]indole
OPENEYE Name: 3-methyl-5H-pyrido[4,3-b]indole
IUPAC Name: 3-methyl-5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 3-methyl-5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C12H10N2
MOLECULAR WEIGHT: 182.2212
SMILES: CC1=NC=C2C3=CC=CC=C3NC2=C1
Structure:
CAS RN: 59887-89-7
CAS Name: 7-hydroxy-1-benzopyran-4-one
OPENEYE Name: 7-hydroxychromen-4-one
IUPAC Name: 7-hydroxychromen-4-one
SYSTEMATIC NAME: 7-oxidanylchromen-4-one
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 162.14214
SMILES: C1=CC2=C(C=C1O)OC=CC2=O
Structure:
CAS RN: 32597-34-5
CAS Name: N-[(Z)-2-pyrrolylidenemethyl]hydroxylamine
OPENEYE Name: N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine
IUPAC Name: N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: C1=C/C(=C/NO)/N=C1
Structure:
CAS RN: 52090-89-8
CAS Name: 5-chloro-1H-imidazo[4,5-b]pyridine
OPENEYE Name: 5-chloro-1H-imidazo[4,5-b]pyridine
IUPAC Name: 5-chloro-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-chloranyl-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C6H4ClN3
MOLECULAR WEIGHT: 153.56906
SMILES: C1=CC(=NC2=C1NC=N2)Cl
Structure:
CAS RN: 92001-52-0
CAS Name: 6-chloro-8-methyl-7H-purine
OPENEYE Name: 6-chloro-8-methyl-7H-purine
IUPAC Name: 6-chloro-8-methyl-7H-purine
SYSTEMATIC NAME: 6-chloranyl-8-methyl-7H-purine
MOLECULAR FORMULA: C6H5ClN4
MOLECULAR WEIGHT: 168.5837
SMILES: CC1=NC2=C(N1)C(=NC=N2)Cl
Structure:
CAS RN: 61221-07-6
CAS Name: N-[(Z)-2-furanylmethylideneamino]-2-(4-morpholinyl)acetamide
OPENEYE Name: N-[(Z)-2-furylmethyleneamino]-2-morpholino-acetamide
IUPAC Name: N-[(Z)-furan-2-ylmethylideneamino]-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: N-[(Z)-furan-2-ylmethylideneamino]-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C11H15N3O3
MOLECULAR WEIGHT: 237.2551
SMILES: C1COCCN1CC(=O)N/N=C\C2=CC=CO2
Structure:
CAS RN: 29936-76-3
CAS Name: (1Z)-4-[2-(4-morpholinyl)-2-oxoethoxy]benzaldehyde oxime
OPENEYE Name: (1Z)-4-(2-morpholino-2-oxo-ethoxy)benzaldehyde oxime
IUPAC Name: 2-[4-[(Z)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-[4-[(Z)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: C1COCCN1C(=O)COC2=CC=C(C=C2)/C=N\O
Structure:
CAS RN: 63224-33-9
CAS Name: (6E)-6-(4-methyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-(4-methyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-(4-methyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-(4-methyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C9H9N3OS
MOLECULAR WEIGHT: 207.25226
SMILES: CN1/C(=C\2/C=CC=CC2=O)/NNC1=S
Structure:
CAS RN: 1936-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
Structure:
CAS RN: 64709-43-9
CAS Name: 4-[mercapto(4-morpholinyl)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,6-dimethoxy-4-[morpholino(sulfanyl)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2,6-dimethoxy-4-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-dimethoxy-4-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: COC1=CC(=C(N2CCOCC2)S)C=C(C1=O)OC
Structure:
CAS RN: 841-12-3
CAS Name: 3-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid
OPENEYE Name: 3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
IUPAC Name: 3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: C1=C/C(=C/NC2=CC=CC(=C2)C(=O)O)/C(=O)C=C1
Structure:
CAS RN: 53336-53-1
CAS Name: 1-(1-hydroxycyclohexyl)ethanone oxime
OPENEYE Name: 1-(1-hydroxycyclohexyl)ethanone oxime
IUPAC Name: 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]cyclohexan-1-ol
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C/C(=N\O)/C1(CCCCC1)O
Structure:
CAS RN: 26004-25-1
CAS Name: (3Z)-3-[anilino(mercapto)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-3-[anilino(sulfanyl)methylene]chromane-2,4-dione
IUPAC Name: (3Z)-3-[anilino(sulfanyl)methylidene]chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[phenylazanyl(sulfanyl)methylidene]chromene-2,4-dione
MOLECULAR FORMULA: C16H11NO3S
MOLECULAR WEIGHT: 297.32844
SMILES: C1=CC=C(C=C1)N/C(=C/2\C(=O)C3=CC=CC=C3OC2=O)/S
Structure:
CAS RN: 22329-38-0
CAS Name: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
OPENEYE Name: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
IUPAC Name: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
SYSTEMATIC NAME: 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: CC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
Structure:
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