1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-carboxyphenyl)-3-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H9F3N2O4 MolecularWeight: 314.21677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H9F3N2O4/c1-6-9(12(21)22)10(13(14,15)16)18(17-6)8-5-3-2-4-7(8)11(19)20/h2-5H,1H3,(H,19,20)(H,21,22)