2,5-dimethyl-4-(2-methylphenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-(2-methylphenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(2-methylbenzoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(2-methylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(2-methylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-o-toluoyl-3-pyrazolin-3-one Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(NN(C2=O)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(NN(C2=O)C)C

InChI

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