3,3-dimethyl-6-oxidanylidene-4-[(E)-(3-oxidanylidene-2-benzofuran-1-ylidene)methyl]-2H-pyran-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-oxidanylidene-4-[(E)-(3-oxidanylidene-2-benzofuran-1-ylidene)methyl]-2H-pyran-5-carbonitrile Openeye Name: 3,3-dimethyl-6-oxo-4-[(E)-(3-oxoisobenzofuran-1-ylidene)methyl]-2H-pyran-5-carbonitrile CAS Name: 3,3-dimethyl-6-oxo-4-[(E)-(3-oxo-1-isobenzofuranylidene)methyl]-2H-pyran-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-oxo-4-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]-2H-pyran-5-carbonitrile Traditional Name: 6-keto-3,3-dimethyl-4-[(E)-phthalidylidenemethyl]-2H-pyran-5-carbonitrile Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C(=C1C=C2C3=CC=CC=C3C(=O)O2)C#N)C

Isomeric SMILES

CC1(COC(=O)C(=C1/C=C/2\C3=CC=CC=C3C(=O)O2)C#N)C

InChI

InChI=1S/C17H13NO4/c1-17(2)9-21-15(19)12(8-18)13(17)7-14-10-5-3-4-6-11(10)16(20)22-14/h3-7H,9H2,1-2H3/b14-7+