3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=NC=C4)CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=NC=C4)CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C25H19N3O5/c1-32-18-6-2-5-17-12-19(33-24(17)18)22(29)20-21(16-7-10-26-11-8-16)28(25(31)23(20)30)14-15-4-3-9-27-13-15/h2-13,21,30H,14H2,1H3