[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H20F3N3O5 MolecularWeight: 451.39581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O5/c22-21(23,24)15-6-2-3-7-16(15)25-19(28)13-32-20(29)14-8-9-17(18(12-14)27(30)31)26-10-4-1-5-11-26/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,25,28)