2,5-dimethyl-4-(4-methylphenyl)carbonyl-4H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-(4-methylphenyl)carbonyl-4H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(4-methylbenzoyl)-4H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(4-methylphenyl)-oxomethyl]-4H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(4-methylbenzoyl)-4H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-p-toluoyl-2-pyrazolin-3-one Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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