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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C25H20BrN3O4 MolecularWeight: 506.348

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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)Br)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)Br)CCC[N+]5=CNC=C5)[O-]

InChI

InChI=1S/C25H20BrN3O4/c26-18-7-3-6-17(13-18)22-21(23(30)20-14-16-5-1-2-8-19(16)33-20)24(31)25(32)29(22)11-4-10-28-12-9-27-15-28/h1-3,5-9,12-15,22H,4,10-11H2,(H,30,31)