3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C24H17N3O4 MolecularWeight: 411.40948

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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=NC=C4)CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=NC=C4)CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C24H17N3O4/c28-22(19-12-17-5-1-2-6-18(17)31-19)20-21(16-7-10-25-11-8-16)27(24(30)23(20)29)14-15-4-3-9-26-13-15/h1-13,21,29H,14H2