[1-(phenylmethyl)piperidin-4-yl] 2-nitro-4-(trifluoromethyl)benzoate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 2-nitro-4-(trifluoromethyl)benzoate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 2-nitro-4-(trifluoromethyl)benzoate hydrochloride CAS Name: 2-nitro-4-(trifluoromethyl)benzoic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 2-nitro-4-(trifluoromethyl)benzoate hydrochloride Traditional Name: 2-nitro-4-(trifluoromethyl)benzoic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C20H20ClF3N2O4 MolecularWeight: 444.83201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H19F3N2O4.ClH/c21-20(22,23)15-6-7-17(18(12-15)25(27)28)19(26)29-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14;/h1-7,12,16H,8-11,13H2;1H