2-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxyphenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(5-methyl-2-furoyl)-5-p-phenetyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C

InChI

InChI=1S/C24H22N2O5/c1-3-30-18-9-7-17(8-10-18)21-20(22(27)19-11-6-15(2)31-19)23(28)24(29)26(21)14-16-5-4-12-25-13-16/h4-13,21,28H,3,14H2,1-2H3