methyl 3-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid methyl ester Formula: C13H13BrN2O2 MolecularWeight: 309.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1)CC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H13BrN2O2/c1-8-12(13(17)18-2)11(16-15-8)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,15,16)