2-[(3-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]ethanoic acid

Systemtic Name: 2-[(3-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]ethanoic acid Openeye Name: 2-[(3-methyl-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]acetic acid CAS Name: 2-[(3-methyl-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]acetic acid IUPAC Name: 2-[(3-methyl-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]acetic acid Traditional Name: 2-[(2-keto-3-methyl-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]acetic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(N1)C(=CC(=C2)[N+](=O)[O-])CNCC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(N1)C(=CC(=C2)[N+](=O)[O-])CNCC(=O)O

InChI

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