3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(5-methylfuran-2-yl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(5-methylfuran-2-yl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(5-methyl-2-furyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(5-methyl-2-furanyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(5-methylfuran-2-yl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(5-methyl-2-furyl)-3-pyrrolin-3-olate Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(O1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H21N3O5/c1-15-7-8-18(31-15)21-20(22(28)19-13-16-5-2-3-6-17(16)32-19)23(29)24(30)27(21)11-4-10-26-12-9-25-14-26/h2-3,5-9,12-14,21H,4,10-11H2,1H3,(H,28,29)