[3-nitro-5-[(phenylmethyl)amino]phenyl]boronic acid

Systemtic Name: [3-nitro-5-[(phenylmethyl)amino]phenyl]boronic acid Openeye Name: [3-(benzylamino)-5-nitro-phenyl]boronic acid CAS Name: [3-nitro-5-[(phenylmethyl)amino]phenyl]boronic acid IUPAC Name: [3-(benzylamino)-5-nitrophenyl]boronic acid Traditional Name: [3-(benzylamino)-5-nitro-phenyl]boronic acid Formula: C13H13BN2O4 MolecularWeight: 272.06432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H13BN2O4/c17-14(18)11-6-12(8-13(7-11)16(19)20)15-9-10-4-2-1-3-5-10/h1-8,15,17-18H,9H2