1-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-6-nitro-hexane-2,3-dione sulfate

Systemtic Name: 1-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-6-nitro-hexane-2,3-dione sulfate Openeye Name: 1-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-6-nitro-hexane-2,3-dione sulfate CAS Name: 1-[7-(1-imidazolyl)-3,4-dihydro-2H-quinoxalin-1-yl]-6-nitrohexane-2,3-dione sulfate IUPAC Name: 1-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-6-nitrohexane-2,3-dione sulfate Traditional Name: 1-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-6-nitro-hexane-2,3-dione sulfate Formula: C17H19N5O8S-2 MolecularWeight: 453.42646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4.H2O4S/c23-16(2-1-7-22(25)26)17(24)11-20-9-6-19-14-4-3-13(10-15(14)20)21-8-5-18-12-21;1-5(2,3)4/h3-5,8,10,12,19H,1-2,6-7,9,11H2;(H2,1,2,3,4)/p-2