[3-nitro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid

Systemtic Name: [3-nitro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid Openeye Name: [3-(isopropylcarbamoyl)-5-nitro-phenyl]boronic acid CAS Name: [3-nitro-5-[oxo-(propan-2-ylamino)methyl]phenyl]boronic acid IUPAC Name: [3-nitro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid Traditional Name: [3-(isopropylcarbamoyl)-5-nitro-phenyl]boronic acid Formula: C10H13BN2O5 MolecularWeight: 252.03162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13BN2O5/c1-6(2)12-10(14)7-3-8(11(15)16)5-9(4-7)13(17)18/h3-6,15-16H,1-2H3,(H,12,14)