[4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]boronic acid

Systemtic Name: [4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]boronic acid Openeye Name: [4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]boronic acid CAS Name: [4-[(2-methyl-4-nitro-1-imidazolyl)methyl]phenyl]boronic acid IUPAC Name: [4-[(2-methyl-4-nitroimidazol-1-yl)methyl]phenyl]boronic acid Traditional Name: [4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]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)CN2C=C(N=C2C)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C=C(N=C2C)[N+](=O)[O-])(O)O

InChI

InChI=1S/C11H12BN3O4/c1-8-13-11(15(18)19)7-14(8)6-9-2-4-10(5-3-9)12(16)17/h2-5,7,16-17H,6H2,1H3