8-[(3,5-dinitro-2-oxidanyl-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(3,5-dinitro-2-oxidanyl-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2-hydroxy-3,5-dinitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(2-hydroxy-3,5-dinitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-hydroxy-3,5-dinitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-hydroxy-3,5-dinitro-benzoyl)amino]caprylic acid Formula: C15H19N3O8 MolecularWeight: 369.32666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O8/c19-13(20)6-4-2-1-3-5-7-16-15(22)11-8-10(17(23)24)9-12(14(11)21)18(25)26/h8-9,21H,1-7H2,(H,16,22)(H,19,20)