CAS RN: 60933-63-3
CAS Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonamide
OPENEYE Name: [(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonamide
IUPAC Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonamide
SYSTEMATIC NAME: [(1R,4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonamide
MOLECULAR FORMULA: C10H17NO3S
MOLECULAR WEIGHT: 231.31188
SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C
Structure:
CAS RN: 13691-22-0
CAS Name: 1-(4-aminophenyl)-2-pyrrolidinone
OPENEYE Name: 1-(4-aminophenyl)pyrrolidin-2-one
IUPAC Name: 1-(4-aminophenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-aminophenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 71412-08-3
CAS Name: 1-(4-aminophenyl)-2-pyrrolidinone
OPENEYE Name: 1-(4-aminophenyl)pyrrolidin-2-one
IUPAC Name: 1-(4-aminophenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-aminophenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 62774-90-7
CAS Name: 2,6-dichloro-4-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 2,6-dichloro-4-methyl-pyridine-3-carboxylic acid
IUPAC Name: 2,6-dichloro-4-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H5Cl2NO2
MOLECULAR WEIGHT: 206.0261
SMILES: CC1=CC(=NC(=C1C(=O)O)Cl)Cl
Structure:
CAS RN: 583-06-2
CAS Name: (E)-4-oxo-4-phenyl-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-phenyl-but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-phenylbut-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-phenyl-but-2-enoic acid
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C(=O)O
Structure:
CAS RN: 35975-57-6
CAS Name: 8-bromo-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-bromanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Br
Structure:
CAS RN: 6085-11-6
CAS Name: 8-bromo-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 8-bromo-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-bromanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Br
Structure:
CAS RN: 61546-59-6
CAS Name: 6-hydroxy-2-(2-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-hydroxy-2-(2-methoxyphenyl)chromen-4-one
IUPAC Name: 6-hydroxy-2-(2-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-6-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O
Structure:
CAS RN: 58327-76-7
CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid
OPENEYE Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid
IUPAC Name: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)C
Structure:
CAS RN: 5112-04-9
CAS Name: N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(3,4-dimethylphenyl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: CC1=C(C=C(C=C1)NC(=O)C(F)(F)F)C
Structure:
CAS RN: 72568-56-0
CAS Name: (4S)-6-amino-5-cyano-4-(2-furanyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4S)-6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-6-azanyl-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=CO2)C#N)N)C
Structure:
CAS RN: 72568-56-0
CAS Name: (4R)-6-amino-5-cyano-4-(2-furanyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4R)-6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
IUPAC Name: ethyl (4R)-6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-6-azanyl-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: CCOC(=O)C1=C(OC(=C([C@H]1C2=CC=CO2)C#N)N)C
Structure:
CAS RN: 19369-53-0
CAS Name: 2-amino-5-methyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-methyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: CC1=CC(=C(S1)N)C(=O)OC
Structure:
CAS RN: 5314-04-5
CAS Name: (E)-4-(3,5-dimethylanilino)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(3,5-dimethylanilino)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1=CC(=CC(=C1)NC(=O)/C=C/C(=O)O)C
Structure:
CAS RN: 5314-34-1
CAS Name: (E)-4-[2-[anilino(oxo)methyl]anilino]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]amino]but-2-enoic acid
MOLECULAR FORMULA: C17H14N2O4
MOLECULAR WEIGHT: 310.30406
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 4053-44-5
CAS Name: 5-(hydroxymethyl)-8-quinolinol
OPENEYE Name: 5-(hydroxymethyl)quinolin-8-ol
IUPAC Name: 5-(hydroxymethyl)quinolin-8-ol
SYSTEMATIC NAME: 5-(hydroxymethyl)quinolin-8-ol
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)CO
Structure:
CAS RN: 5221-75-0
CAS Name: 3-nitrobenzoic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl 3-nitrobenzoate
IUPAC Name: naphthalen-1-yl 3-nitrobenzoate
SYSTEMATIC NAME: naphthalen-1-yl 3-nitrobenzoate
MOLECULAR FORMULA: C17H11NO4
MOLECULAR WEIGHT: 293.27354
SMILES: C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 6371-53-5
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid (3-methylphenyl) ester
OPENEYE Name: m-tolyl 2-(2,4-dichlorophenoxy)acetate
IUPAC Name: (3-methylphenyl) 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: (3-methylphenyl) 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C15H12Cl2O3
MOLECULAR WEIGHT: 311.15998
SMILES: CC1=CC(=CC=C1)OC(=O)COC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 4108-58-1
CAS Name: N-[(1S)-1-phenylethyl]benzamide
OPENEYE Name: N-[(1S)-1-phenylethyl]benzamide
IUPAC Name: N-[(1S)-1-phenylethyl]benzamide
SYSTEMATIC NAME: N-[(1S)-1-phenylethyl]benzamide
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
Structure:
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