methyl 5-ethanoyl-2-phenyl-1,3-dihydropyrazole-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CN(N1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C1=C(CN(N1)C2=CC=CC=C2)C(=O)OC

InChI

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