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

Systemtic Name: 4-(3-nitrophenyl)-1H-1,5-benzodiazepine-2-carboxylic acid Openeye Name: 4-(3-nitrophenyl)-1H-1,5-benzodiazepine-2-carboxylic acid CAS Name: 4-(3-nitrophenyl)-1H-1,5-benzodiazepine-2-carboxylic acid IUPAC Name: 4-(3-nitrophenyl)-1H-1,5-benzodiazepine-2-carboxylic acid Traditional Name: 4-(3-nitrophenyl)-1H-1,5-benzodiazepine-2-carboxylic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N3O4/c20-16(21)15-9-14(10-4-3-5-11(8-10)19(22)23)17-12-6-1-2-7-13(12)18-15/h1-9,18H,(H,20,21)