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

Systemtic Name: 2-[cyanomethyl-[[2-[(3-methoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[(6-hydroxy-3-keto-2-m-anisylidene-coumaran-7-yl)methyl]amino]acetonitrile Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-27-15-4-2-3-14(11-15)12-19-20(26)16-5-6-18(25)17(21(16)28-19)13-24(9-7-22)10-8-23/h2-6,11-12,25H,9-10,13H2,1H3