2-cyclohexylpropyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-cyclohexylpropyl 4-nitrobenzoate hydrochloride Openeye Name: 2-cyclohexylpropyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-cyclohexylpropyl ester hydrochloride IUPAC Name: 2-cyclohexylpropyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-cyclohexylpropyl ester hydrochloride Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCCCC2.Cl

Isomeric SMILES

CC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCCCC2.Cl

InChI

InChI=1S/C16H21NO4.ClH/c1-12(13-5-3-2-4-6-13)11-21-16(18)14-7-9-15(10-8-14)17(19)20;/h7-10,12-13H,2-6,11H2,1H3;1H