3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])CCC[N+]5=CNC=C5)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])CCC[N+]5=CNC=C5)[O-]

InChI

InChI=1S/C25H20N4O6/c30-23(20-14-16-5-1-2-8-19(16)35-20)21-22(17-6-3-7-18(13-17)29(33)34)28(25(32)24(21)31)11-4-10-27-12-9-26-15-27/h1-3,5-9,12-15,22H,4,10-11H2,(H,30,31)