(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C22H22F3N3O5 MolecularWeight: 465.42239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22F3N3O5/c1-14(20(29)26-17-5-3-2-4-6-17)33-21(30)15-9-11-27(12-10-15)18-8-7-16(22(23,24)25)13-19(18)28(31)32/h2-8,13-15H,9-12H2,1H3,(H,26,29)