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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(C(C1)C2=CC=C(C=C2)OC)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H]1C[C@H]([C@@H](C1)C2=CC=C(C=C2)OC)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O7/c1-15(2)8-16-9-19(23(10-16)17-4-6-22(32-3)7-5-17)14-33-24(27)18-11-20(25(28)29)13-21(12-18)26(30)31/h4-7,11-13,15-16,19,23H,8-10,14H2,1-3H3/t16-,19+,23+/m1/s1