1-(phenylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: 1-(phenylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-benzyl-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-(trifluoromethyl)pyrazole-4-carboxylate Formula: C12H8F3N2O2- MolecularWeight: 269.19933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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