ethoxycarbonyl 2-(2-methylphenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: ethoxycarbonyl 2-(2-methylphenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: ethoxycarbonyl 2-(o-tolyl)-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 2-(2-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid ethoxycarbonyl ester IUPAC Name: ethoxycarbonyl 2-(2-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-1-(o-tolyl)-3-pyrazoline-3-carboxylic acid carbethoxy ester Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)OC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2C

InChI

InChI=1S/C14H14N2O5/c1-3-20-14(19)21-13(18)10-8-12(17)16(15-10)11-7-5-4-6-9(11)2/h4-8,15H,3H2,1-2H3