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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(3,4-dimethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(3,4-dimethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 5-(3,4-dimethoxyphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C28H24N2O7 MolecularWeight: 500.49936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC)OC

InChI

InChI=1S/C28H24N2O7/c1-34-19-10-9-17(12-21(19)36-3)24-23(26(32)28(33)30(24)15-16-6-5-11-29-14-16)25(31)22-13-18-7-4-8-20(35-2)27(18)37-22/h4-14,24,32H,15H2,1-3H3