1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C18H14BrClN2O2 MolecularWeight: 405.67296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H14BrClN2O2/c1-2-15-16(18(23)24)17(11-6-8-13(20)9-7-11)21-22(15)14-5-3-4-12(19)10-14/h3-10H,2H2,1H3,(H,23,24)