(4-bromophenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid (4-bromobenzyl) ester Formula: C14H15BrN2O2 MolecularWeight: 323.1851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H15BrN2O2/c1-9-13(10(2)17(3)16-9)14(18)19-8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3