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

Systemtic Name: (4-ethylphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (4-ethylphenyl) ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N2O4/c1-2-14-3-6-17(7-4-14)30-20(27)15-9-11-25(12-10-15)18-8-5-16(21(22,23)24)13-19(18)26(28)29/h3-8,13,15H,2,9-12H2,1H3