2-[(1R,2R)-2-(dimethylamino)cyclopentyl]propan-2-yl 2,4-dinitrobenzoate

Systemtic Name: 2-[(1R,2R)-2-(dimethylamino)cyclopentyl]propan-2-yl 2,4-dinitrobenzoate Openeye Name: [1-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-methyl-ethyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid 2-[(1R,2R)-2-(dimethylamino)cyclopentyl]propan-2-yl ester IUPAC Name: 2-[(1R,2R)-2-(dimethylamino)cyclopentyl]propan-2-yl 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [1-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-methyl-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCC1N(C)C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-17(2,13-6-5-7-14(13)18(3)4)26-16(21)12-9-8-11(19(22)23)10-15(12)20(24)25/h8-10,13-14H,5-7H2,1-4H3/t13-,14-/m1/s1