[(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-cyclopentyl]methyl 3,5-dinitrobenzoate

Systemtic Name: [(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-cyclopentyl]methyl 3,5-dinitrobenzoate Openeye Name: [(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-cyclopentyl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methyl ester IUPAC Name: [(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-cyclopentyl]methyl ester Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(C[C@@H](C[C@H]1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H28N2O7/c1-24(2)14-17(5-4-16-6-8-22(32-3)9-7-16)10-19(24)15-33-23(27)18-11-20(25(28)29)13-21(12-18)26(30)31/h6-9,11-13,17,19H,4-5,10,14-15H2,1-3H3/t17-,19+/m1/s1