[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C15H13F3N4O4 MolecularWeight: 370.28333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C15H13F3N4O4/c16-15(17,18)8-19-14(25)20-12(23)7-26-13(24)11-6-10(21-22-11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,21,22)(H2,19,20,23,25)