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

Systemtic Name: 3-(furan-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-3-olate Formula: C24H22N2O7 MolecularWeight: 450.44068

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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=CC=CO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C24H22N2O7/c1-30-17-10-15(11-18(31-2)23(17)32-3)20-19(21(27)16-7-5-9-33-16)22(28)24(29)26(20)13-14-6-4-8-25-12-14/h4-12,20,28H,13H2,1-3H3