(3-nitro-5-pyridin-4-yloxycarbonyl-phenyl)boronic acid

Systemtic Name: (3-nitro-5-pyridin-4-yloxycarbonyl-phenyl)boronic acid Openeye Name: [3-nitro-5-(4-pyridyloxycarbonyl)phenyl]boronic acid CAS Name: [3-nitro-5-[oxo(pyridin-4-yloxy)methyl]phenyl]boronic acid IUPAC Name: (3-nitro-5-pyridin-4-yloxycarbonylphenyl)boronic acid Traditional Name: [3-nitro-5-(4-pyridyloxycarbonyl)phenyl]boronic acid Formula: C12H9BN2O6 MolecularWeight: 288.02066

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=NC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=NC=C2)(O)O

InChI

InChI=1S/C12H9BN2O6/c16-12(21-11-1-3-14-4-2-11)8-5-9(13(17)18)7-10(6-8)15(19)20/h1-7,17-18H