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

Systemtic Name: 2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

InChI

InChI=1S/C26H19N3O3/c27-12-14-29(15-13-28)17-22-23(30)11-10-21-25(31)24(32-26(21)22)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16,30H,14-15,17H2