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

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,5-dichlorophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,5-dichlorophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,5-dichlorophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3,5-dichlorophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C13H12Cl2N2O2 MolecularWeight: 299.15258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC(=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H12Cl2N2O2/c1-2-3-12-11(13(18)19)7-16-17(12)10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3,(H,18,19)