3-[[3,5-bis[bis(fluoranyl)methyl]pyrazol-1-yl]methyl]benzoate

Systemtic Name: 3-[[3,5-bis[bis(fluoranyl)methyl]pyrazol-1-yl]methyl]benzoate Openeye Name: 3-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[3,5-bis(difluoromethyl)-1-pyrazolyl]methyl]benzoate IUPAC Name: 3-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoate Formula: C13H9F4N2O2- MolecularWeight: 301.216373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F4N2O2/c14-11(15)9-5-10(12(16)17)19(18-9)6-7-2-1-3-8(4-7)13(20)21/h1-5,11-12H,6H2,(H,20,21)/p-1