1-(3-cyano-4-fluoranyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyano-4-fluoranyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyano-4-fluoro-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyano-4-fluoro-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H5F4N3O2 MolecularWeight: 299.180613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H5F4N3O2/c13-9-2-1-7(3-6(9)4-17)19-5-8(11(20)21)10(18-19)12(14,15)16/h1-3,5H,(H,20,21)