[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [4-cyano-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C13H6F5N3O2 MolecularWeight: 331.197656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)OC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)OC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H6F5N3O2/c1-21-11(6(5-19)10(20-21)13(16,17)18)23-12(22)9-7(14)3-2-4-8(9)15/h2-4H,1H3