2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-7-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(2,4,5-trimethoxybenzylidene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C23H21N3O6 MolecularWeight: 435.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N)OC)OC

InChI

InChI=1S/C23H21N3O6/c1-29-18-12-20(31-3)19(30-2)10-14(18)11-21-22(28)15-4-5-17(27)16(23(15)32-21)13-26(8-6-24)9-7-25/h4-5,10-12,27H,8-9,13H2,1-3H3