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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-5-p-phenetyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C27H22N2O5 MolecularWeight: 454.47398

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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=CC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H22N2O5/c1-2-33-20-11-9-18(10-12-20)24-23(25(30)22-14-19-7-3-4-8-21(19)34-22)26(31)27(32)29(24)16-17-6-5-13-28-15-17/h3-15,24,31H,2,16H2,1H3