ethyl 2-(7-nitro-4-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)ethanoate

Systemtic Name: ethyl 2-(7-nitro-4-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)ethanoate Openeye Name: ethyl 2-(4-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetate CAS Name: 2-(4-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetate Traditional Name: 2-(4-hydroxy-2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid ethyl ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-2-28-17(23)11-16-19(24)20-15-9-8-13(22(26)27)10-14(15)18(21(16)25)12-6-4-3-5-7-12/h3-10,16,25H,2,11H2,1H3