[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H13F3N2O3/c15-14(16,17)11-4-1-3-10(7-11)8-13(21)22-9-12(20)19-6-2-5-18/h1,3-4,7H,2,6,8-9H2,(H,19,20)