2-(6-imidazol-1-yl-7-nitro-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(6-imidazol-1-yl-7-nitro-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(6-imidazol-1-yl-7-nitro-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-oxo-acetic acid CAS Name: 2-[6-(1-imidazolyl)-7-nitro-3-oxo-2,4-dihydroquinoxalin-1-yl]-2-oxoacetic acid IUPAC Name: 2-(6-imidazol-1-yl-7-nitro-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-oxoacetic acid Traditional Name: 2-(6-imidazol-1-yl-3-keto-7-nitro-2,4-dihydroquinoxalin-1-yl)-2-keto-acetic acid Formula: C13H9N5O6 MolecularWeight: 331.24046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1C(=O)C(=O)O)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(N1C(=O)C(=O)O)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O6/c19-11-5-17(12(20)13(21)22)8-4-10(18(23)24)9(3-7(8)15-11)16-2-1-14-6-16/h1-4,6H,5H2,(H,15,19)(H,21,22)