5-cyano-1-(4-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-cyano-1-(4-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 5-cyano-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-cyano-1-(4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-cyano-1-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 5-cyano-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C#N

InChI

InChI=1S/C12H9N3O2/c1-8-2-4-9(5-3-8)15-11(6-13)10(7-14-15)12(16)17/h2-5,7H,1H3,(H,16,17)