[1-(4-methylphenyl)carbonyl-5-(trifluoromethyl)pyrazol-3-yl]methyl 4-fluoranylbenzoate

Systemtic Name: [1-(4-methylphenyl)carbonyl-5-(trifluoromethyl)pyrazol-3-yl]methyl 4-fluoranylbenzoate Openeye Name: [1-(4-methylbenzoyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [1-[(4-methylphenyl)-oxomethyl]-5-(trifluoromethyl)-3-pyrazolyl]methyl ester IUPAC Name: [1-(4-methylbenzoyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [1-p-toluoyl-5-(trifluoromethyl)pyrazol-3-yl]methyl ester Formula: C20H14F4N2O3 MolecularWeight: 406.330373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=CC(=N2)COC(=O)C3=CC=C(C=C3)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=CC(=N2)COC(=O)C3=CC=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C20H14F4N2O3/c1-12-2-4-13(5-3-12)18(27)26-17(20(22,23)24)10-16(25-26)11-29-19(28)14-6-8-15(21)9-7-14/h2-10H,11H2,1H3