(3E,5E)-1-(1-benzofuran-2-yl)-2-cyano-8-ethanoyl-9-oxidanylidene-deca-3,5,7-trien-1-olate

Systemtic Name: (3E,5E)-1-(1-benzofuran-2-yl)-2-cyano-8-ethanoyl-9-oxidanylidene-deca-3,5,7-trien-1-olate Openeye Name: (3E,5E)-8-acetyl-1-(benzofuran-2-yl)-2-cyano-9-oxo-deca-3,5,7-trien-1-olate CAS Name: (3E,5E)-8-acetyl-1-(2-benzofuranyl)-2-cyano-9-oxo-1-deca-3,5,7-trienolate IUPAC Name: (3E,5E)-8-acetyl-1-(1-benzofuran-2-yl)-2-cyano-9-oxodeca-3,5,7-trien-1-olate Traditional Name: (3E,5E)-8-acetyl-1-(benzofuran-2-yl)-2-cyano-9-keto-deca-3,5,7-trien-1-olate Formula: C21H18NO4- MolecularWeight: 348.37192

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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/C21H18NO4/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/h3-12,17,21H,1-2H3/q-1/b5-3+,9-4+