3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)16-15(17(20)21)11-19(18-16)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)