Sunday, July 17, 2011

http://ChemLookup.com Compounds




CAS RN: 713540-69-3
CAS Name: (2S)-1-(cyanomethyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(cyanomethyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(cyanomethyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(cyanomethyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: C1C[C@H](N(C1)CC#N)C(=O)O
Structure:

CAS RN: 230642-98-5
CAS Name: (2S)-1-(3-chloro-4-nitrophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(3-chloro-4-nitro-phenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(3-chloro-4-nitrophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(3-chloranyl-4-nitro-phenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11ClN2O4
MOLECULAR WEIGHT: 270.66904
SMILES: C1C[C@H](N(C1)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)O
Structure:

CAS RN: 308108-11-4
CAS Name: (2S)-1-(3-cyanophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(3-cyanophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(3-cyanophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(3-cyanophenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1C[C@H](N(C1)C2=CC=CC(=C2)C#N)C(=O)O
Structure:

CAS RN: 305790-76-5
CAS Name: (2S)-1-(5-bromo-2-nitrophenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(5-bromo-2-nitro-phenyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(5-bromo-2-nitrophenyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(5-bromanyl-2-nitro-phenyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11BrN2O4
MOLECULAR WEIGHT: 315.12004
SMILES: C1C[C@H](N(C1)C2=C(C=CC(=C2)Br)[N+](=O)[O-])C(=O)O
Structure:

CAS RN: 66277-05-2
CAS Name: 2-(1,3-benzothiazol-2-yl)-2-methylpropanenitrile
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-propanenitrile
IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-methylpropanenitrile
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-2-methyl-propanenitrile
MOLECULAR FORMULA: C11H10N2S
MOLECULAR WEIGHT: 202.2755
SMILES: CC(C)(C#N)C1=NC2=CC=CC=C2S1
Structure:

CAS RN: 157763-81-0
CAS Name: 2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile
OPENEYE Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-propanenitrile
IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-yl)-2-methyl-propanenitrile
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC(C)(C#N)C1=NC2=CC=CC=C2O1
Structure:

CAS RN: 82039-17-6
CAS Name: 9-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 9-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 9-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 9-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1=CC=CC2=C1NC(=O)CCC2
Structure:

CAS RN: 29281-07-0
CAS Name: 5,6-dimethoxy-1H-indole-3-carboxylic acid
OPENEYE Name: 5,6-dimethoxy-1H-indole-3-carboxylic acid
IUPAC Name: 5,6-dimethoxy-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 5,6-dimethoxy-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C11H11NO4
MOLECULAR WEIGHT: 221.20934
SMILES: COC1=C(C=C2C(=C1)C(=CN2)C(=O)O)OC
Structure:

CAS RN: 889942-79-4
CAS Name: 4-methoxy-1H-indole-3-carbonitrile
OPENEYE Name: 4-methoxy-1H-indole-3-carbonitrile
IUPAC Name: 4-methoxy-1H-indole-3-carbonitrile
SYSTEMATIC NAME: 4-methoxy-1H-indole-3-carbonitrile
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: COC1=CC=CC2=C1C(=CN2)C#N
Structure:

CAS RN: 194490-14-7
CAS Name: 5-chloro-1H-indole-3-carbonitrile
OPENEYE Name: 5-chloro-1H-indole-3-carbonitrile
IUPAC Name: 5-chloro-1H-indole-3-carbonitrile
SYSTEMATIC NAME: 5-chloranyl-1H-indole-3-carbonitrile
MOLECULAR FORMULA: C9H5ClN2
MOLECULAR WEIGHT: 176.6024
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)C#N
Structure:

CAS RN: 194490-17-0
CAS Name: 6-chloro-1H-indole-3-carbonitrile
OPENEYE Name: 6-chloro-1H-indole-3-carbonitrile
IUPAC Name: 6-chloro-1H-indole-3-carbonitrile
SYSTEMATIC NAME: 6-chloranyl-1H-indole-3-carbonitrile
MOLECULAR FORMULA: C9H5ClN2
MOLECULAR WEIGHT: 176.6024
SMILES: C1=CC2=C(C=C1Cl)NC=C2C#N
Structure:

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