8-[4-[(6-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[(6-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(2-hydroxy-6-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(2-hydroxy-6-nitro-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(2-hydroxy-6-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(2-hydroxy-4-keto-6-nitro-1H-quinoline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C24H25N3O8 MolecularWeight: 483.4706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)OCCCCCCCC(=O)O

InChI

InChI=1S/C24H25N3O8/c28-20(29)6-4-2-1-3-5-13-35-17-10-7-15(8-11-17)25-23(31)21-22(30)18-14-16(27(33)34)9-12-19(18)26-24(21)32/h7-12,14H,1-6,13H2,(H,25,31)(H,28,29)(H2,26,30,32)