2-[2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3-cyano-4-fluoranyl-phenyl)-5-(trifluoromethyl)pyrazol-3-yl]ethanoic acid Openeye Name: 2-[2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazol-3-yl]acetic acid CAS Name: 2-[2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)-3-pyrazolyl]acetic acid IUPAC Name: 2-[2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]acetic acid Traditional Name: 2-[2-(3-cyano-4-fluoro-phenyl)-5-(trifluoromethyl)pyrazol-3-yl]acetic acid Formula: C13H7F4N3O2 MolecularWeight: 313.207193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=CC(=N2)C(F)(F)F)CC(=O)O)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1N2C(=CC(=N2)C(F)(F)F)CC(=O)O)C#N)F

InChI

InChI=1S/C13H7F4N3O2/c14-10-2-1-8(3-7(10)6-18)20-9(5-12(21)22)4-11(19-20)13(15,16)17/h1-4H,5H2,(H,21,22)