(3E,5E)-2-[1-benzofuran-2-yl(oxidanyl)methyl]-8-ethanoyl-9-oxidanylidene-deca-3,5,7-trienenitrile

Systemtic Name: (3E,5E)-2-[1-benzofuran-2-yl(oxidanyl)methyl]-8-ethanoyl-9-oxidanylidene-deca-3,5,7-trienenitrile Openeye Name: (3E,5E)-8-acetyl-2-[benzofuran-2-yl(hydroxy)methyl]-9-oxo-deca-3,5,7-trienenitrile CAS Name: (3E,5E)-8-acetyl-2-[2-benzofuranyl(hydroxy)methyl]-9-oxodeca-3,5,7-trienenitrile IUPAC Name: (3E,5E)-8-acetyl-2-[1-benzofuran-2-yl(hydroxy)methyl]-9-oxodeca-3,5,7-trienenitrile Traditional Name: (3E,5E)-8-acetyl-2-[benzofuran-2-yl(hydroxy)methyl]-9-keto-deca-3,5,7-trienenitrile Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC=CC=CC(C#N)C(C1=CC2=CC=CC=C2O1)O)C(=O)C

Isomeric SMILES

CC(=O)C(=C/C=C/C=C/C(C#N)C(C1=CC2=CC=CC=C2O1)O)C(=O)C

InChI

InChI=1S/C21H19NO4/c1-14(23)18(15(2)24)10-5-3-4-9-17(13-22)21(25)20-12-16-8-6-7-11-19(16)26-20/h3-12,17,21,25H,1-2H3/b5-3+,9-4+