[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-acetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-acetamidobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C14H14F3N3O5 MolecularWeight: 361.27327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O5/c1-8(21)19-10-4-2-3-9(5-10)12(23)25-6-11(22)20-13(24)18-7-14(15,16)17/h2-5H,6-7H2,1H3,(H,19,21)(H2,18,20,22,24)