2-[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-8-3-5-10(6-4-8)15-13(18)11(7-12(16)17)9(2)14-15/h3-6,14H,7H2,1-2H3,(H,16,17)