(2-nitro-4-propan-2-yloxycarbonyl-phenyl)boronic acid

Systemtic Name: (2-nitro-4-propan-2-yloxycarbonyl-phenyl)boronic acid Openeye Name: (4-isopropoxycarbonyl-2-nitro-phenyl)boronic acid CAS Name: [2-nitro-4-[oxo(propan-2-yloxy)methyl]phenyl]boronic acid IUPAC Name: (2-nitro-4-propan-2-yloxycarbonylphenyl)boronic acid Traditional Name: (4-isopropoxycarbonyl-2-nitro-phenyl)boronic acid Formula: C10H12BNO6 MolecularWeight: 253.01638

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=C(C=C1)C(=O)OC(C)C)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=C(C=C(C=C1)C(=O)OC(C)C)[N+](=O)[O-])(O)O

InChI

InChI=1S/C10H12BNO6/c1-6(2)18-10(13)7-3-4-8(11(14)15)9(5-7)12(16)17/h3-6,14-15H,1-2H3