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

Systemtic Name: [4-(6-azanylhexanoylamino)-3-nitro-phenyl]boronic acid Openeye Name: [4-(6-aminohexanoylamino)-3-nitro-phenyl]boronic acid CAS Name: [4-[(6-amino-1-oxohexyl)amino]-3-nitrophenyl]boronic acid IUPAC Name: [4-(6-aminohexanoylamino)-3-nitrophenyl]boronic acid Traditional Name: [4-(6-aminohexanoylamino)-3-nitro-phenyl]boronic acid Formula: C12H18BN3O5 MolecularWeight: 295.09942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BN3O5/c14-7-3-1-2-4-12(17)15-10-6-5-9(13(18)19)8-11(10)16(20)21/h5-6,8,18-19H,1-4,7,14H2,(H,15,17)