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

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H19ClF3N3O5 MolecularWeight: 485.84087

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClF3N3O5/c22-14-5-6-16(15(11-14)21(23,24)25)26-19(29)12-33-20(30)13-4-7-17(18(10-13)28(31)32)27-8-2-1-3-9-27/h4-7,10-11H,1-3,8-9,12H2,(H,26,29)