4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(3-methylpyrazol-1-yl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 4-(4-methylphenyl)-2-(3-methyl-1-pyrazolyl)-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-(3-methylpyrazol-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-2-(3-methylpyrazol-1-yl)-4-(p-tolyl)butyric acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c1-10-3-5-12(6-4-10)14(18)9-13(15(19)20)17-8-7-11(2)16-17/h3-8,13H,9H2,1-2H3,(H,19,20)