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

Systemtic Name: 4-(2-ethanoylphenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(2-acetylbenzoyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(2-acetylphenyl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(2-acetylbenzoyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(2-acetylbenzoyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=CC=CC=C2C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=CC=CC=C2C(=O)C

InChI

InChI=1S/C14H14N2O3/c1-8-12(14(19)16(3)15-8)13(18)11-7-5-4-6-10(11)9(2)17/h4-7,15H,1-3H3