ethyl 2-(3-methylphenyl)-3-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-(3-methylphenyl)-3-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(m-tolyl)-3-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-(3-methylphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylphenyl)-3-oxo-1H-pyrazole-4-carboxylate Traditional Name: 5-keto-1-(m-tolyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=O)C2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CNN(C1=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C13H14N2O3/c1-3-18-13(17)11-8-14-15(12(11)16)10-6-4-5-9(2)7-10/h4-8,14H,3H2,1-2H3