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

Systemtic Name: 2-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]ethanoic acid Openeye Name: 2-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]acetic acid CAS Name: 2-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]acetic acid IUPAC Name: 2-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]acetic acid Traditional Name: 2-[[3-(1H-imidazol-5-ylmethyl)-2-keto-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]acetic acid Formula: C15H16N6O5 MolecularWeight: 360.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(N2)CC3=CN=CN3)CNCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CC3=CN=CN3)CNCC(=O)O)[N+](=O)[O-]

InChI

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