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

Systemtic Name: 2,3-bis(oxidanylidene)butyl-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)sulfamic acid Openeye Name: 2,3-dioxobutyl-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)sulfamic acid CAS Name: 2,3-dioxobutyl-[7-(1-imidazolyl)-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl]sulfamic acid IUPAC Name: 2,3-dioxobutyl-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)sulfamic acid Traditional Name: 2,3-diketobutyl-(7-imidazol-1-yl-6-nitro-3,4-dihydro-2H-quinoxalin-1-yl)sulfamic acid Formula: C15H16N6O7S MolecularWeight: 424.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O7S/c1-10(22)15(23)8-20(29(26,27)28)19-5-3-17-11-6-14(21(24)25)13(7-12(11)19)18-4-2-16-9-18/h2,4,6-7,9,17H,3,5,8H2,1H3,(H,26,27,28)