methyl 5-methyl-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-methyl-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-benzoyl-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-hydroxy-5-methyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1C(=O)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CC1(CC(=NN1C(=O)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C13H14N2O4/c1-13(18)8-10(12(17)19-2)14-15(13)11(16)9-6-4-3-5-7-9/h3-7,18H,8H2,1-2H3