methyl 1-(4-chlorophenyl)carbonyl-5-oxidanyl-5-propan-2-yl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)carbonyl-5-oxidanyl-5-propan-2-yl-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-isopropyl-4H-pyrazole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-propan-2-yl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-propan-2-yl-4H-pyrazole-3-carboxylate Traditional Name: 1-(4-chlorobenzoyl)-5-hydroxy-5-isopropyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C(=O)OC)O

Isomeric SMILES

CC(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C(=O)OC)O

InChI

InChI=1S/C15H17ClN2O4/c1-9(2)15(21)8-12(14(20)22-3)17-18(15)13(19)10-4-6-11(16)7-5-10/h4-7,9,21H,8H2,1-3H3