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

Systemtic Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-p-phenetyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C28H24N2O6/c1-3-35-20-11-9-18(10-12-20)24-23(26(32)28(33)30(24)16-17-6-5-13-29-15-17)25(31)22-14-19-7-4-8-21(34-2)27(19)36-22/h4-15,24,32H,3,16H2,1-2H3