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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C27H25N3O6 MolecularWeight: 487.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O6/c1-34-20-10-5-8-18(26(20)35-2)23-22(24(31)21-15-17-7-3-4-9-19(17)36-21)25(32)27(33)30(23)13-6-12-29-14-11-28-16-29/h3-5,7-11,14-16,23H,6,12-13H2,1-2H3,(H,31,32)