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

Systemtic Name: 2-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-[(carboxymethylamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C13H14N4O7 MolecularWeight: 338.27286

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O7/c18-10(19)3-9-13(22)16-8-2-7(17(23)24)1-6(12(8)15-9)4-14-5-11(20)21/h1-2,9,14-15H,3-5H2,(H,16,22)(H,18,19)(H,20,21)