[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C22H21F3N2O6 MolecularWeight: 466.40715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O6/c1-32-17-4-2-3-15(11-17)20(28)13-33-21(29)14-7-9-26(10-8-14)18-6-5-16(22(23,24)25)12-19(18)27(30)31/h2-6,11-12,14H,7-10,13H2,1H3