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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-5-oxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-5-phenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C25H18N2O4/c28-23(20-13-18-10-4-5-11-19(18)31-20)21-22(17-8-2-1-3-9-17)27(25(30)24(21)29)15-16-7-6-12-26-14-16/h1-14,22,29H,15H2