[2-(3-bicyclo[2.2.1]heptanyl)-5-methyl-cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [2-(3-bicyclo[2.2.1]heptanyl)-5-methyl-cyclohexyl] 3,5-dinitrobenzoate Openeye Name: (5-methyl-2-norbornan-2-yl-cyclohexyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(3-bicyclo[2.2.1]heptanyl)-5-methylcyclohexyl] ester IUPAC Name: [2-(3-bicyclo[2.2.1]heptanyl)-5-methylcyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-methyl-2-(2-norbornyl)cyclohexyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3CC4CCC3C4

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3CC4CCC3C4

InChI

InChI=1S/C21H26N2O6/c1-12-2-5-18(19-8-13-3-4-14(19)7-13)20(6-12)29-21(24)15-9-16(22(25)26)11-17(10-15)23(27)28/h9-14,18-20H,2-8H2,1H3