1-(4-bromophenyl)-5-propyl-pyrazole-4-carboxylate

Systemtic Name: 1-(4-bromophenyl)-5-propyl-pyrazole-4-carboxylate Openeye Name: 1-(4-bromophenyl)-5-propyl-pyrazole-4-carboxylate CAS Name: 1-(4-bromophenyl)-5-propyl-4-pyrazolecarboxylate IUPAC Name: 1-(4-bromophenyl)-5-propylpyrazole-4-carboxylate Traditional Name: 1-(4-bromophenyl)-5-propyl-pyrazole-4-carboxylate Formula: C13H12BrN2O2- MolecularWeight: 308.15058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H13BrN2O2/c1-2-3-12-11(13(17)18)8-15-16(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H,17,18)/p-1