2-[8-(benzamidomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(benzamidomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-(benzamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-(benzamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-(benzamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-(benzamidomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6/c23-15(24)8-14-18(26)21-13-7-12(22(27)28)6-11(16(13)20-14)9-19-17(25)10-4-2-1-3-5-10/h1-7,14,20H,8-9H2,(H,19,25)(H,21,26)(H,23,24)