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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (2-keto-2-piperidino-ethyl) ester Formula: C16H18F3N3O5 MolecularWeight: 389.32643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N3O5/c17-16(18,19)11-4-5-12(13(8-11)22(25)26)20-9-15(24)27-10-14(23)21-6-2-1-3-7-21/h4-5,8,20H,1-3,6-7,9-10H2