[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H16F3N3O3/c1-13(18(27)25-16-7-5-15(6-8-16)20(21,22)23)29-19(28)14-3-9-17(10-4-14)26-12-2-11-24-26/h2-13H,1H3,(H,25,27)