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

Systemtic Name: 2-[8-(methylaminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-(methylaminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-(methylaminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-(methylaminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-(methylaminomethyl)-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC2=C1NC(C(=O)N2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC(=CC2=C1NC(C(=O)N2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-13-5-6-2-7(16(20)21)3-8-11(6)14-9(4-10(17)18)12(19)15-8/h2-3,9,13-14H,4-5H2,1H3,(H,15,19)(H,17,18)