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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methoxybenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H12F3NO4 MolecularWeight: 291.22319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C12H12F3NO4/c1-19-9-4-2-8(3-5-9)11(18)20-6-10(17)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,17)