bis(cyanomethyl)-[[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-2-[(2,4-dimethoxyphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C22H20N3O5+ MolecularWeight: 406.4113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N)OC

InChI

InChI=1S/C22H19N3O5/c1-28-15-4-3-14(19(12-15)29-2)11-20-21(27)16-5-6-18(26)17(22(16)30-20)13-25(9-7-23)10-8-24/h3-6,11-12,26H,9-10,13H2,1-2H3/p+1/b20-11-