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

Systemtic Name: 4,4,5-trimethyl-2-(4-methylphenyl)carbonyl-pyrazol-3-one Openeye Name: 4,4,5-trimethyl-2-(4-methylbenzoyl)pyrazol-3-one CAS Name: 4,4,5-trimethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4,4,5-trimethyl-2-(4-methylbenzoyl)pyrazol-3-one Traditional Name: 4,4,5-trimethyl-2-p-toluoyl-2-pyrazolin-3-one Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-9-5-7-11(8-6-9)12(17)16-13(18)14(3,4)10(2)15-16/h5-8H,1-4H3