[4,4-dimethyl-2-(4-methylphenyl)carbonyl-3-oxidanyl-pyrazol-3-yl]methyl ethanoate

Systemtic Name: [4,4-dimethyl-2-(4-methylphenyl)carbonyl-3-oxidanyl-pyrazol-3-yl]methyl ethanoate Openeye Name: [3-hydroxy-4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-yl]methyl acetate CAS Name: acetic acid [3-hydroxy-4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrazolyl]methyl ester IUPAC Name: [3-hydroxy-4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-yl]methyl acetate Traditional Name: acetic acid (3-hydroxy-4,4-dimethyl-2-p-toluoyl-2-pyrazolin-3-yl)methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11-5-7-13(8-6-11)14(20)18-16(21,10-22-12(2)19)15(3,4)9-17-18/h5-9,21H,10H2,1-4H3