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

Systemtic Name: methyl 5-tert-butyl-1-(3-chlorophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-1-(3-chlorobenzoyl)-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[(3-chlorophenyl)-oxomethyl]-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-1-(3-chlorobenzoyl)-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-(3-chlorobenzoyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O4/c1-15(2,3)16(22)9-12(14(21)23-4)18-19(16)13(20)10-6-5-7-11(17)8-10/h5-8,22H,9H2,1-4H3