[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-ethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C13H14F3NO3 MolecularWeight: 289.25037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C13H14F3NO3/c1-2-9-3-5-10(6-4-9)12(19)20-7-11(18)17-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,18)