4-cyclohexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione; sulfuric acid; hydrate

Systemtic Name: 4-cyclohexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione; sulfuric acid; hydrate Openeye Name: 4-cyclohexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione; sulfuric acid; hydrate CAS Name: 4-cyclohexyl-6-(1-imidazolyl)-7-nitro-1H-quinoxaline-2,3-dione; sulfuric acid; hydrate IUPAC Name: 4-cyclohexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione; sulfuric acid; hydrate Traditional Name: 4-cyclohexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-quinone; sulfuric acid; hydrate Formula: C17H21N5O9S MolecularWeight: 471.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CN=C4.O.OS(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CN=C4.O.OS(=O)(=O)O

InChI

InChI=1S/C17H17N5O4.H2O4S.H2O/c23-16-17(24)21(11-4-2-1-3-5-11)13-9-14(20-7-6-18-10-20)15(22(25)26)8-12(13)19-16;1-5(2,3)4;/h6-11H,1-5H2,(H,19,23);(H2,1,2,3,4);1H2