[(1S,3R,6R)-3-methyl-2-methylidene-6-propan-2-yl-cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1S,3R,6R)-3-methyl-2-methylidene-6-propan-2-yl-cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1S,3R,6R)-6-isopropyl-3-methyl-2-methylene-cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S,3R,6R)-3-methyl-2-methylene-6-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,3R,6R)-3-methyl-2-methylidene-6-propan-2-ylcyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S,3R,6R)-6-isopropyl-3-methyl-2-methylene-cyclohexyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@@H](C1=C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H22N2O6/c1-10(2)16-6-5-11(3)12(4)17(16)26-18(21)13-7-14(19(22)23)9-15(8-13)20(24)25/h7-11,16-17H,4-6H2,1-3H3/t11-,16-,17-/m1/s1