1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: 1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-(4-bromophenyl)-3,5-dimethyl-4-pyrazolecarboxylate IUPAC Name: 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylate Formula: C12H10BrN2O2- MolecularWeight: 294.124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)[O-]

InChI

InChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17)/p-1