3-[(4-bromanylpyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)