[3-nitro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid

Systemtic Name: [3-nitro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid Openeye Name: [3-(benzyloxycarbonylamino)-5-nitro-phenyl]boronic acid CAS Name: [3-nitro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid IUPAC Name: [3-nitro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid Traditional Name: [3-(benzyloxycarbonylamino)-5-nitro-phenyl]boronic acid Formula: C14H13BN2O6 MolecularWeight: 316.07382

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H13BN2O6/c18-14(23-9-10-4-2-1-3-5-10)16-12-6-11(15(19)20)7-13(8-12)17(21)22/h1-8,19-20H,9H2,(H,16,18)