3-[3,5-bis(chloranyl)phenyl]-1-(4-bromophenyl)-5-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]-1-(4-bromophenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(3,5-dichlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(3,5-dichlorophenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(3,5-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(3,5-dichlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C18H13BrCl2N2O2 MolecularWeight: 440.11802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrCl2N2O2/c1-2-15-16(18(24)25)17(10-7-12(20)9-13(21)8-10)22-23(15)14-5-3-11(19)4-6-14/h3-9H,2H2,1H3,(H,24,25)