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

Systemtic Name: 2-[8-(acetamidomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-(acetamidomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6/c1-6(18)14-5-7-2-8(17(22)23)3-9-12(7)15-10(4-11(19)20)13(21)16-9/h2-3,10,15H,4-5H2,1H3,(H,14,18)(H,16,21)(H,19,20)