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

Systemtic Name: 2-[cyanomethyl-[[2-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[(6-hydroxy-3-keto-2-veratrylidene-coumaran-7-yl)methyl]amino]acetonitrile Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N)OC

InChI

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