phenyl 5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: phenyl 5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: phenyl 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid phenyl ester Formula: C17H9F6N3O2 MolecularWeight: 401.262679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F6N3O2/c18-16(19,20)10-6-7-13(24-8-10)26-14(17(21,22)23)12(9-25-26)15(27)28-11-4-2-1-3-5-11/h1-9H