methyl 5-[2-(2-bromanyl-4-methoxy-phenyl)ethyl]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[2-(2-bromanyl-4-methoxy-phenyl)ethyl]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[2-(2-bromo-4-methoxy-phenyl)ethyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[2-(2-bromo-4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-bromo-4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[2-(2-bromo-4-methoxy-phenyl)ethyl]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C14H15BrN2O3 MolecularWeight: 339.1845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC2=C(C=NN2)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1)CCC2=C(C=NN2)C(=O)OC)Br

InChI

InChI=1S/C14H15BrN2O3/c1-19-10-5-3-9(12(15)7-10)4-6-13-11(8-16-17-13)14(18)20-2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)