methyl 1-ethanoyl-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 1-ethanoyl-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-acetyl-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: 1-acetyl-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 1-acetyl-5-hydroxy-5-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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