(4-methoxyphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (4-methoxyphenyl) ester Formula: C20H19F3N2O5 MolecularWeight: 424.37047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N2O5/c1-29-15-3-5-16(6-4-15)30-19(26)13-8-10-24(11-9-13)17-7-2-14(20(21,22)23)12-18(17)25(27)28/h2-7,12-13H,8-11H2,1H3