[1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethylamino]propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C(=O)NCC(F)(F)F)OC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H11F3N2O3/c1-8(11(19)18-7-13(14,15)16)21-12(20)10-4-2-3-9(5-10)6-17/h2-5,8H,7H2,1H3,(H,18,19)