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

Systemtic Name: 8-[4-[[1-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[5-hydroxy-1-(4-nitrophenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-1-(4-nitrophenyl)-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[5-hydroxy-1-(4-nitrophenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[2-hydroxy-4-keto-1-(4-nitrophenyl)-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C25H27N3O8 MolecularWeight: 497.49718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C25H27N3O8/c29-21-16-27(18-9-11-19(12-10-18)28(34)35)25(33)23(21)24(32)26-17-7-13-20(14-8-17)36-15-5-3-1-2-4-6-22(30)31/h7-14,33H,1-6,15-16H2,(H,26,32)(H,30,31)