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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(3-methoxy-4-propoxy-phenyl)-3-pyrrolin-3-olate Formula: C25H27N3O6 MolecularWeight: 465.49838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4)OC

InChI

InChI=1S/C25H27N3O6/c1-3-13-33-18-8-7-17(15-20(18)32-2)22-21(23(29)19-6-4-14-34-19)24(30)25(31)28(22)11-5-10-27-12-9-26-16-27/h4,6-9,12,14-16,22H,3,5,10-11,13H2,1-2H3,(H,29,30)