3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(3-nitrophenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C26H19N3O7 MolecularWeight: 485.44496

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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)[N+](=O)[O-])CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C26H19N3O7/c1-35-19-9-3-7-17-12-20(36-25(17)19)23(30)21-22(16-6-2-8-18(11-16)29(33)34)28(26(32)24(21)31)14-15-5-4-10-27-13-15/h2-13,22,31H,14H2,1H3