ethyl (1Z)-1-(cyanomethylidene)-4,6-dimethyl-3-oxidanylidene-2-benzofuran-5-carboxylate

Systemtic Name: ethyl (1Z)-1-(cyanomethylidene)-4,6-dimethyl-3-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: ethyl (1Z)-1-(cyanomethylene)-4,6-dimethyl-3-oxo-isobenzofuran-5-carboxylate CAS Name: (1Z)-1-(cyanomethylidene)-4,6-dimethyl-3-oxo-5-isobenzofurancarboxylic acid ethyl ester IUPAC Name: ethyl (1Z)-1-(cyanomethylidene)-4,6-dimethyl-3-oxo-2-benzofuran-5-carboxylate Traditional Name: (1Z)-1-(cyanomethylene)-3-keto-4,6-dimethyl-phthalan-5-carboxylic acid ethyl ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=CC#N)OC(=O)C2=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C2/C(=C/C#N)/OC(=O)C2=C1C)C

InChI

InChI=1S/C15H13NO4/c1-4-19-14(17)12-8(2)7-10-11(5-6-16)20-15(18)13(10)9(12)3/h5,7H,4H2,1-3H3/b11-5-