2-[cyanomethyl-[[2-(1H-indol-3-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[2-(1H-indol-3-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-2-(1H-indol-3-ylmethylene)-3-keto-coumaran-7-yl]methyl]amino]acetonitrile Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC#N)CC#N

InChI

InChI=1S/C22H16N4O3/c23-7-9-26(10-8-24)13-17-19(27)6-5-16-21(28)20(29-22(16)17)11-14-12-25-18-4-2-1-3-15(14)18/h1-6,11-12,25,27H,9-10,13H2