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

Systemtic Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-bis(oxidanylidene)pentanoic acid Openeye Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxo-pentanoic acid CAS Name: 4-[7-(1-imidazolyl)-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl]-2,3-dioxopentanoic acid IUPAC Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-dioxopentanoic acid Traditional Name: 4-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-diketo-valeric acid Formula: C16H15N5O6 MolecularWeight: 373.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)C(=O)O)N1CCNC2=C1C=C(C(=C2)[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CC(C(=O)C(=O)C(=O)O)N1CCNC2=C1C=C(C(=C2)[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C16H15N5O6/c1-9(14(22)15(23)16(24)25)20-5-3-18-10-6-13(21(26)27)12(7-11(10)20)19-4-2-17-8-19/h2,4,6-9,18H,3,5H2,1H3,(H,24,25)