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

Systemtic Name: 2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(3-pyridylmethylene)benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(3-pyridinylmethylidene)-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(3-pyridylmethylene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C19H14N4O3 MolecularWeight: 346.33946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O3/c20-5-8-23(9-6-21)12-15-16(24)4-3-14-18(25)17(26-19(14)15)10-13-2-1-7-22-11-13/h1-4,7,10-11,24H,8-9,12H2