3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: 3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: 3,5-dimethyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolecarboxylate IUPAC Name: 3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(p-tolyl)pyrazole-4-carboxylate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C13H14N2O2/c1-8-4-6-11(7-5-8)15-10(3)12(13(16)17)9(2)14-15/h4-7H,1-3H3,(H,16,17)/p-1