methyl 5-tert-butyl-1-(4-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-1-(4-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-[(4-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-p-toluoyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-11-6-8-12(9-7-11)14(20)19-17(22,16(2,3)4)10-13(18-19)15(21)23-5/h6-9,22H,10H2,1-5H3