2-[[2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[cyanomethyl-[(6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl)methyl]amino]acetonitrile Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

InChI

InChI=1S/C21H15N3O5/c22-5-7-24(8-6-23)11-15-16(25)3-2-14-20(26)19(29-21(14)15)10-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10,25H,7-8,11-12H2