1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-carbomethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C28H25N3O7 MolecularWeight: 515.514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)CCC[N+]5=CNC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)CCC[N+]5=CNC=C5)[O-]

InChI

InChI=1S/C28H25N3O7/c1-36-20-6-3-5-19-15-21(38-26(19)20)24(32)22-23(17-7-9-18(10-8-17)28(35)37-2)31(27(34)25(22)33)13-4-12-30-14-11-29-16-30/h3,5-11,14-16,23H,4,12-13H2,1-2H3,(H,32,33)