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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C24H20N4O4 MolecularWeight: 428.44

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O4/c29-22(19-14-17-4-1-2-5-18(17)32-19)20-21(16-6-8-25-9-7-16)28(24(31)23(20)30)12-3-11-27-13-10-26-15-27/h1-2,4-10,13-15,21H,3,11-12H2,(H,29,30)