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

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-1-ethyl-5-methyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-1-ethyl-5-methyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-ethyl-5-methyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-1-ethyl-5-methylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-ethyl-5-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C15H17BrN2O2 MolecularWeight: 337.21168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

InChI

InChI=1S/C15H17BrN2O2/c1-4-18-10(2)14(15(19)20-3)13(17-18)9-11-5-7-12(16)8-6-11/h5-8H,4,9H2,1-3H3