4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 4-cyano-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C13H8F3N3O3 MolecularWeight: 311.21613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)C(=O)O

InChI

InChI=1S/C13H8F3N3O3/c1-22-8-4-2-7(3-5-8)19-10(12(20)21)9(6-17)11(18-19)13(14,15)16/h2-5H,1H3,(H,20,21)