2-[4-(4-bromanylpyrazol-1-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-bromanylpyrazol-1-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid CAS Name: 2-[4-(4-bromo-1-pyrazolyl)phenyl]acetic acid IUPAC Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)N2C=C(C=N2)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)N2C=C(C=N2)Br

InChI

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