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

Systemtic Name: 4-ethoxycarbonyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 4-ethoxycarbonyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 4-ethoxycarbonyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C15H13F3N2O5 MolecularWeight: 358.26933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C15H13F3N2O5/c1-3-25-14(23)10-11(13(21)22)20(19-12(10)15(16,17)18)8-4-6-9(24-2)7-5-8/h4-7H,3H2,1-2H3,(H,21,22)