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

Systemtic Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-bis(oxidanylidene)butanoic acid Openeye Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxo-butanoic acid CAS Name: 4-[7-(1-imidazolyl)-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl]-2,3-dioxobutanoic acid IUPAC Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxobutanoic acid Traditional Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-diketo-butyric acid Formula: C15H13N5O6 MolecularWeight: 359.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O6/c21-13(14(22)15(23)24)7-18-4-2-17-9-5-12(20(25)26)11(6-10(9)18)19-3-1-16-8-19/h1,3,5-6,8,17H,2,4,7H2,(H,23,24)