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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-methoxycarbonylphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-carbomethoxyphenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C27H20N2O6 MolecularWeight: 468.4575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H20N2O6/c1-34-27(33)18-10-8-17(9-11-18)23-22(24(30)21-13-19-6-2-3-7-20(19)35-21)25(31)26(32)29(23)15-16-5-4-12-28-14-16/h2-14,23,31H,15H2,1H3