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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C23H24F3N3O5 MolecularWeight: 479.44897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H24F3N3O5/c24-23(25,26)18-6-7-19(20(14-18)29(32)33)28-12-9-17(10-13-28)22(31)34-15-21(30)27-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,27,30)