7-[4-[(7-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]heptanoic acid

Systemtic Name: 7-[4-[(7-nitro-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]heptanoic acid Openeye Name: 7-[4-[(2-hydroxy-7-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid CAS Name: 7-[4-[[(2-hydroxy-7-nitro-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]heptanoic acid IUPAC Name: 7-[4-[(2-hydroxy-7-nitro-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid Traditional Name: 7-[4-[(2-hydroxy-4-keto-7-nitro-1H-quinoline-3-carbonyl)amino]phenoxy]enanthic acid Formula: C23H23N3O8 MolecularWeight: 469.44402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O8/c27-19(28)5-3-1-2-4-12-34-16-9-6-14(7-10-16)24-22(30)20-21(29)17-11-8-15(26(32)33)13-18(17)25-23(20)31/h6-11,13H,1-5,12H2,(H,24,30)(H,27,28)(H2,25,29,31)