ethyl 1-phenyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazole-4-carboxylate CAS Name: 1-phenyl-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O3/c1-2-23-12(21)10-8-18-20(9-6-4-3-5-7-9)11(10)19-13(22)14(15,16)17/h3-8H,2H2,1H3,(H,19,22)