8-[4-[(5-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[(5-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(2-hydroxy-5-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(2-hydroxy-5-nitro-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(2-hydroxy-5-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(2-hydroxy-4-keto-5-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=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C24H25N3O8/c28-19(29)9-4-2-1-3-5-14-35-16-12-10-15(11-13-16)25-23(31)21-22(30)20-17(26-24(21)32)7-6-8-18(20)27(33)34/h6-8,10-13H,1-5,9,14H2,(H,25,31)(H,28,29)(H2,26,30,32)