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

Systemtic Name: 3-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-bis(oxidanylidene)propanoic acid Openeye Name: 3-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxo-propanoic acid CAS Name: 3-[7-(1-imidazolyl)-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl]-2,3-dioxopropanoic acid IUPAC Name: 3-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxopropanoic acid Traditional Name: 3-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-diketo-propionic acid Formula: C14H11N5O6 MolecularWeight: 345.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O6/c20-12(14(22)23)13(21)18-4-2-16-8-5-11(19(24)25)10(6-9(8)18)17-3-1-15-7-17/h1,3,5-7,16H,2,4H2,(H,22,23)