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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-phenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5/c1-32-19-11-5-10-18-13-20(33-25(18)19)23(29)21-22(17-8-3-2-4-9-17)28(26(31)24(21)30)15-16-7-6-12-27-14-16/h2-14,22,30H,15H2,1H3