[2-(trifluoromethyl)phenyl]methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C20H19F3N2O4 MolecularWeight: 408.37107

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N2O4/c21-20(22,23)16-7-3-2-6-15(16)13-29-19(26)14-8-9-17(18(12-14)25(27)28)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2