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

Systemtic Name: 2-[[2-[(3-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[2-[(3-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[2-(3-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(=CC(=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(CC#N)CC#N

Isomeric SMILES

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

InChI

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