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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-3-olate Formula: C28H24N2O7 MolecularWeight: 500.49936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H24N2O7/c1-34-21-12-18(13-22(35-2)27(21)36-3)24-23(25(31)20-11-17-8-4-5-9-19(17)37-20)26(32)28(33)30(24)15-16-7-6-10-29-14-16/h4-14,24,32H,15H2,1-3H3