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

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 2-nitro-4-(trifluoromethyl)benzoate Openeye Name: (1-benzyl-4-piperidyl) 2-nitro-4-(trifluoromethyl)benzoate CAS Name: 2-nitro-4-(trifluoromethyl)benzoic acid [1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-4-yl) 2-nitro-4-(trifluoromethyl)benzoate Traditional Name: 2-nitro-4-(trifluoromethyl)benzoic acid (1-benzyl-4-piperidyl) ester Formula: C20H19F3N2O4 MolecularWeight: 408.37107

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O4/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