1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C11H8BrClN2O3 MolecularWeight: 331.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)OCN2C=CC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)OCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C11H8BrClN2O3/c12-7-1-2-10(8(13)5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)