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

Systemtic Name: 2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C26H22BrN3O5 MolecularWeight: 536.37398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrN3O5/c1-34-19-8-3-6-17-14-20(35-25(17)19)23(31)21-22(16-5-2-7-18(27)13-16)30(26(33)24(21)32)11-4-10-29-12-9-28-15-29/h2-3,5-9,12-15,22H,4,10-11H2,1H3,(H,31,32)