4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid Openeye Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid CAS Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid IUPAC Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid Traditional Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC2=CC=CC=C2N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(NC2=CC=CC=C2N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15N3O4/c1-10-15(17(21)22)16(11-5-4-6-12(9-11)20(23)24)19-14-8-3-2-7-13(14)18-10/h2-9,16,18-19H,1H3,(H,21,22)