2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C15H16N6O5 MolecularWeight: 360.32474

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCC3=CN=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCC3=CN=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O5/c22-13(23)3-12-15(24)20-11-2-10(21(25)26)1-8(14(11)19-12)4-16-5-9-6-17-7-18-9/h1-2,6-7,12,16,19H,3-5H2,(H,17,18)(H,20,24)(H,22,23)