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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)C#N

InChI

InChI=1S/C13H10F3N3O4/c14-13(15,16)7-18-12(22)19-10(20)6-23-11(21)9-3-1-2-8(4-9)5-17/h1-4H,6-7H2,(H2,18,19,20,22)