ethyl 1-[2-(bromomethyl)-4-chloranyl-phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[2-(bromomethyl)-4-chloranyl-phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[2-(bromomethyl)-4-chloro-phenyl]pyrazole-4-carboxylate CAS Name: 1-[2-(bromomethyl)-4-chlorophenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(bromomethyl)-4-chlorophenyl]pyrazole-4-carboxylate Traditional Name: 1-[2-(bromomethyl)-4-chloro-phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H12BrClN2O2 MolecularWeight: 343.60358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)Cl)CBr

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)Cl)CBr

InChI

InChI=1S/C13H12BrClN2O2/c1-2-19-13(18)10-7-16-17(8-10)12-4-3-11(15)5-9(12)6-14/h3-5,7-8H,2,6H2,1H3