[4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid

Systemtic Name: [4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid Openeye Name: [4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid CAS Name: [4-[2-(2-nitro-1-imidazolyl)ethyl]phenyl]boronic acid IUPAC Name: [4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid Traditional Name: [4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid Formula: C11H12BN3O4 MolecularWeight: 261.04168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CCN2C=CN=C2[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CCN2C=CN=C2[N+](=O)[O-])(O)O

InChI

InChI=1S/C11H12BN3O4/c16-12(17)10-3-1-9(2-4-10)5-7-14-8-6-13-11(14)15(18)19/h1-4,6,8,16-17H,5,7H2