methyl 5-(2-methylpropyl)-3-oxidanyl-2-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(2-methylpropyl)-3-oxidanyl-2-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 2-benzoyl-3-hydroxy-5-isobutyl-4H-pyrazole-3-carboxylate CAS Name: 2-benzoyl-3-hydroxy-5-(2-methylpropyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzoyl-3-hydroxy-5-(2-methylpropyl)-4H-pyrazole-3-carboxylate Traditional Name: 2-benzoyl-3-hydroxy-5-isobutyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4/c1-11(2)9-13-10-16(21,15(20)22-3)18(17-13)14(19)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3