4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[4-cyano-5-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoate Formula: C12H5F3N3O2- MolecularWeight: 280.18221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C(=C(C=N2)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C(=C(C=N2)C#N)C(F)(F)F

InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)10-8(5-16)6-17-18(10)9-3-1-7(2-4-9)11(19)20/h1-4,6H,(H,19,20)/p-1