8-[(3-nitro-4-oxidanyl-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(3-nitro-4-oxidanyl-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(4-hydroxy-3-nitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(4-hydroxy-3-nitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(4-hydroxy-3-nitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(4-hydroxy-3-nitro-benzoyl)amino]caprylic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCCCCCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCCCCCCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C15H20N2O6/c18-13-8-7-11(10-12(13)17(22)23)15(21)16-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,16,21)(H,19,20)