7-methyl-1,5-dinitro-9-(2-oxidanylidenecyclohexyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one

Systemtic Name: 7-methyl-1,5-dinitro-9-(2-oxidanylidenecyclohexyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one Openeye Name: 7-methyl-1,5-dinitro-9-(2-oxocyclohexyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one CAS Name: 7-methyl-1,5-dinitro-9-(2-oxocyclohexyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one IUPAC Name: 7-methyl-1,5-dinitro-9-(2-oxocyclohexyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one Traditional Name: 9-(2-ketocyclohexyl)-7-methyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one Formula: C15H20N3O6+ MolecularWeight: 338.3358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2(C=CC(=O)C(C1)(C2C3CCCCC3=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC2(C=CC(=O)C(C1)(C2C3CCCCC3=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-16-8-14(17(21)22)7-6-12(20)15(9-16,18(23)24)13(14)10-4-2-3-5-11(10)19/h6-7,10,13H,2-5,8-9H2,1H3/p+1