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

Systemtic Name: 2-[[2-[(2-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[2-[(2-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[2-[(2-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[2-[(2-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[2-(2-bromobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C20H14BrN3O3 MolecularWeight: 424.24746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O3/c21-16-4-2-1-3-13(16)11-18-19(26)14-5-6-17(25)15(20(14)27-18)12-24(9-7-22)10-8-23/h1-6,11,25H,9-10,12H2