[4-(6-azanylhexylcarbamoyl)-3-nitro-phenyl]boronic acid

Systemtic Name: [4-(6-azanylhexylcarbamoyl)-3-nitro-phenyl]boronic acid Openeye Name: [4-(6-aminohexylcarbamoyl)-3-nitro-phenyl]boronic acid CAS Name: [4-[(6-aminohexylamino)-oxomethyl]-3-nitrophenyl]boronic acid IUPAC Name: [4-(6-aminohexylcarbamoyl)-3-nitrophenyl]boronic acid Traditional Name: [4-(6-aminohexylcarbamoyl)-3-nitro-phenyl]boronic acid Formula: C13H20BN3O5 MolecularWeight: 309.126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BN3O5/c15-7-3-1-2-4-8-16-13(18)11-6-5-10(14(19)20)9-12(11)17(21)22/h5-6,9,19-20H,1-4,7-8,15H2,(H,16,18)