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

Systemtic Name: 2-[2-(dimethylamino)cyclopentyl]propan-2-yl 2,4-dinitrobenzoate hydrochloride Openeye Name: [1-[2-(dimethylamino)cyclopentyl]-1-methyl-ethyl] 2,4-dinitrobenzoate hydrochloride CAS Name: 2,4-dinitrobenzoic acid 2-[2-(dimethylamino)cyclopentyl]propan-2-yl ester hydrochloride IUPAC Name: 2-[2-(dimethylamino)cyclopentyl]propan-2-yl 2,4-dinitrobenzoate hydrochloride Traditional Name: 2,4-dinitrobenzoic acid [1-[2-(dimethylamino)cyclopentyl]-1-methyl-ethyl] ester hydrochloride Formula: C17H24ClN3O6 MolecularWeight: 401.84196

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6.ClH/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;1H