6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitrocyclohexan-1-ol

Systemtic Name: 6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitrocyclohexan-1-ol Openeye Name: 6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitrocyclohexanol CAS Name: 6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitro-1-cyclohexanol IUPAC Name: 6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitrocyclohexan-1-ol Traditional Name: 6,7-dimethoxy-1-methyl-6H-cinnolin-1-ium-4-one; 2,4,6-trinitrocyclohexanol Formula: C17H22N5O10+ MolecularWeight: 456.38408

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C(C=C2C(=O)C=N1)OC)OC.C1C(CC(C(C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C2C=C(C(C=C2C(=O)C=N1)OC)OC.C1C(CC(C(C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N2O3.C6H9N3O7/c1-13-8-5-11(16-3)10(15-2)4-7(8)9(14)6-12-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6,10H,1-3H3;3-6,10H,1-2H2/q+1;