ethyl 5-methyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2,4,6-trichlorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H11Cl3N2O2 MolecularWeight: 333.59764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)Cl)Cl)C

InChI

InChI=1S/C13H11Cl3N2O2/c1-3-20-13(19)9-6-17-18(7(9)2)12-10(15)4-8(14)5-11(12)16/h4-6H,3H2,1-2H3