methyl 2-ethanoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 2-ethanoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 2-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: 2-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1-acetyl-4-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C(=N1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CC(C(=N1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-9(16)15-8-11(10-6-4-3-5-7-10)12(14-15)13(17)18-2/h3-7,11H,8H2,1-2H3