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

Systemtic Name: [3-nitro-5-(propylcarbamoyl)phenyl]boronic acid Openeye Name: [3-nitro-5-(propylcarbamoyl)phenyl]boronic acid CAS Name: [3-nitro-5-[oxo(propylamino)methyl]phenyl]boronic acid IUPAC Name: [3-nitro-5-(propylcarbamoyl)phenyl]boronic acid Traditional Name: [3-nitro-5-(propylcarbamoyl)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)NCCC)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H13BN2O5/c1-2-3-12-10(14)7-4-8(11(15)16)6-9(5-7)13(17)18/h4-6,15-16H,2-3H2,1H3,(H,12,14)