methyl 1-(2-methylpropanoyl)-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(2-methylpropanoyl)-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-hydroxy-1-(2-methylpropanoyl)-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: 5-hydroxy-1-(2-methyl-1-oxopropyl)-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-1-(2-methylpropanoyl)-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 5-hydroxy-1-isobutyryl-5-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C(=O)OC)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)C(=O)N1C(CC(=N1)C(=O)OC)(C2=CC=CC=C2)O

InChI

InChI=1S/C15H18N2O4/c1-10(2)13(18)17-15(20,11-7-5-4-6-8-11)9-12(16-17)14(19)21-3/h4-8,10,20H,9H2,1-3H3