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

Systemtic Name: [3-nitro-5-[(phenylmethyl)amino]phenyl]boronic acid hydrochloride Openeye Name: [3-(benzylamino)-5-nitro-phenyl]boronic acid hydrochloride CAS Name: [3-nitro-5-[(phenylmethyl)amino]phenyl]boronic acid hydrochloride IUPAC Name: [3-(benzylamino)-5-nitrophenyl]boronic acid hydrochloride Traditional Name: [3-(benzylamino)-5-nitro-phenyl]boronic acid hydrochloride Formula: C13H14BClN2O4 MolecularWeight: 308.52526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BN2O4.ClH/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;1H