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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-acetamidobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C13H13F3N2O4 MolecularWeight: 318.24853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C13H13F3N2O4/c1-8(19)18-10-4-2-9(3-5-10)12(21)22-6-11(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20)(H,18,19)