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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H21N3O4/c29-23(20-15-18-9-4-5-10-19(18)32-20)21-22(17-7-2-1-3-8-17)28(25(31)24(21)30)13-6-12-27-14-11-26-16-27/h1-5,7-11,14-16,22H,6,12-13H2,(H,29,30)