2-[cyanomethyl-[[2-[(2,3-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[2-[(2,3-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[2-[(2,3-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[2-(2,3-dimethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]amino]acetonitrile Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

InChI

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