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

Systemtic Name: 2-(7-nitro-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(3-keto-7-nitro-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H19N3O5/c23-18(24)11-17-19(25)21(9-8-13-4-2-1-3-5-13)12-14-10-15(22(26)27)6-7-16(14)20-17/h1-7,10,17,20H,8-9,11-12H2,(H,23,24)