2-(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoic acid

Systemtic Name: 2-(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoic acid Openeye Name: 2-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid CAS Name: 2-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid IUPAC Name: 2-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid Traditional Name: 2-(2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C17H13N3O5/c21-15-9-18-17(11-4-2-1-3-5-11)13-8-12(20(24)25)6-7-14(13)19(15)10-16(22)23/h1-8H,9-10H2,(H,22,23)