methyl 4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate CAS Name: 4-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CC(=N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CC(=N2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c1-20-12(19)10-4-2-9(3-5-10)8-18-7-6-11(17-18)13(14,15)16/h2-7H,8H2,1H3