2-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)ethanoic acid

Systemtic Name: 2-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)ethanoic acid Openeye Name: 2-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid CAS Name: 2-[7-(1-imidazolyl)-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl]acetic acid IUPAC Name: 2-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid Traditional Name: 2-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(N1)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CN(C2=C(N1)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H13N5O4/c19-13(20)7-16-4-2-15-9-5-12(18(21)22)11(6-10(9)16)17-3-1-14-8-17/h1,3,5-6,8,15H,2,4,7H2,(H,19,20)