methyl 1-(2-chloranyl-6-methyl-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-6-methyl-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-(2-chloro-6-methyl-phenyl)-5-oxo-4H-pyrazole-3-carboxylate CAS Name: 1-(2-chloro-6-methylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-6-methylphenyl)-5-oxo-4H-pyrazole-3-carboxylate Traditional Name: 1-(2-chloro-6-methyl-phenyl)-5-keto-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H11ClN2O3 MolecularWeight: 266.68034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N2C(=O)CC(=N2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N2C(=O)CC(=N2)C(=O)OC

InChI

InChI=1S/C12H11ClN2O3/c1-7-4-3-5-8(13)11(7)15-10(16)6-9(14-15)12(17)18-2/h3-5H,6H2,1-2H3