6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

Systemtic Name: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Openeye Name: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid CAS Name: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid IUPAC Name: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Traditional Name: 6-(2-chlorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Formula: C19H13ClN4O4 MolecularWeight: 396.78392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC1=NC(=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C19H13ClN4O4/c1-10-22-18(19(25)26)16-9-21-17(12-4-2-3-5-14(12)20)13-8-11(24(27)28)6-7-15(13)23(10)16/h2-8H,9H2,1H3,(H,25,26)