2-oxidanylidenepropyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: acetonyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid acetonyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3/c1-9(16)8-18-13(17)12-7-11(14-15-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)