[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C13H14F3N3O4/c1-7-3-2-4-8(10(7)17)11(21)23-5-9(20)19-12(22)18-6-13(14,15)16/h2-4H,5-6,17H2,1H3,(H2,18,19,20,22)