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

Systemtic Name: [4-[(4-nitroimidazol-1-yl)methyl]phenyl]boronic acid Openeye Name: [4-[(4-nitroimidazol-1-yl)methyl]phenyl]boronic acid CAS Name: [4-[(4-nitro-1-imidazolyl)methyl]phenyl]boronic acid IUPAC Name: [4-[(4-nitroimidazol-1-yl)methyl]phenyl]boronic acid Traditional Name: [4-[(4-nitroimidazol-1-yl)methyl]phenyl]boronic acid Formula: C10H10BN3O4 MolecularWeight: 247.0151

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C10H10BN3O4/c15-11(16)9-3-1-8(2-4-9)5-13-6-10(12-7-13)14(17)18/h1-4,6-7,15-16H,5H2