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

Systemtic Name: 3-(furan-2-ylcarbonyl)-2-(4-methoxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-2-(4-methoxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-5-(4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O5/c1-28-16-8-6-15(7-9-16)19-18(20(25)17-5-3-11-29-17)21(26)22(27)24(19)13-14-4-2-10-23-12-14/h2-12,19,26H,13H2,1H3