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

Systemtic Name: 3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-5-oxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-5-phenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C21H16N2O4 MolecularWeight: 360.36274

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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=CC=CO4

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4/c24-19(16-9-5-11-27-16)17-18(15-7-2-1-3-8-15)23(21(26)20(17)25)13-14-6-4-10-22-12-14/h1-12,18,25H,13H2