ethyl 1-[4-nitro-2-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-nitro-2-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-nitro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-nitro-2-[oxo-[4-(trifluoromethoxy)anilino]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-nitro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-nitro-2-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]isonipecotic acid ethyl ester Formula: C22H22F3N3O6 MolecularWeight: 481.42179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H22F3N3O6/c1-2-33-21(30)14-9-11-27(12-10-14)19-8-5-16(28(31)32)13-18(19)20(29)26-15-3-6-17(7-4-15)34-22(23,24)25/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)