2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O4/c1-28-18-5-2-14(22)10-13(18)11-19-20(27)15-3-4-17(26)16(21(15)29-19)12-25(8-6-23)9-7-24/h2-5,10-11,26H,8-9,12H2,1H3