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

Systemtic Name: 2-[cyanomethyl-[[6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-hydroxy-3-keto-2-(4-pyridylmethylene)coumaran-7-yl]methyl]amino]acetonitrile Formula: C19H14N4O3 MolecularWeight: 346.33946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)CN(CC#N)CC#N)O

Isomeric SMILES

C1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)CN(CC#N)CC#N)O

InChI

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