2-(4-ethoxy-3-methoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4)OC

InChI

InChI=1S/C24H25N3O6/c1-3-32-17-8-7-16(14-19(17)31-2)21-20(22(28)18-6-4-13-33-18)23(29)24(30)27(21)11-5-10-26-12-9-25-15-26/h4,6-9,12-15,21H,3,5,10-11H2,1-2H3,(H,28,29)