methyl 4-bromanyl-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 4-bromo-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-bromo-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-bromo-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=C2Br)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=C2Br)C(=O)OC

InChI

InChI=1S/C12H11BrN2O3/c1-17-8-6-4-3-5-7(8)10-9(13)11(15-14-10)12(16)18-2/h3-6H,1-2H3,(H,14,15)