7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one

Systemtic Name: 7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one Openeye Name: 7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one CAS Name: 7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one IUPAC Name: 7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one Traditional Name: 7-butyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one Formula: C12H18N3O5+ MolecularWeight: 284.28842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2(CC(C1)(C(=O)C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[NH+]1CC2(CC(C1)(C(=O)C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-2-3-6-13-8-11(14(17)18)5-4-10(16)12(7-11,9-13)15(19)20/h4-5H,2-3,6-9H2,1H3/p+1