7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl 3,5-dinitrobenzoate

Systemtic Name: 7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl 3,5-dinitrobenzoate Openeye Name: 7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl ester IUPAC Name: 7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 7-bicyclo[9.2.2]pentadeca-1(13),11,14-trienyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CCCC2=CC=C(CC1)C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CCCC2=CC=C(CC1)C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c25-22(18-13-19(23(26)27)15-20(14-18)24(28)29)30-21-7-3-1-2-5-16-9-11-17(12-10-16)6-4-8-21/h9-15,21H,1-8H2