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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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