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

Systemtic Name: 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate Openeye Name: 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]benzoate IUPAC Name: 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate Formula: C12H8F3N2O2- MolecularWeight: 269.19933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC(=N2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC(=N2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)10-4-5-17(16-10)7-8-2-1-3-9(6-8)11(18)19/h1-6H,7H2,(H,18,19)/p-1