1-(2,6-dimethyl-5-oxidanylidene-oxan-3-yl)-7-methoxy-3-oxidanylidene-2-benzofuran-1-carbonitrile

Systemtic Name: 1-(2,6-dimethyl-5-oxidanylidene-oxan-3-yl)-7-methoxy-3-oxidanylidene-2-benzofuran-1-carbonitrile Openeye Name: 1-(2,6-dimethyl-5-oxo-tetrahydropyran-3-yl)-7-methoxy-3-oxo-isobenzofuran-1-carbonitrile CAS Name: 1-(2,6-dimethyl-5-oxo-3-oxanyl)-7-methoxy-3-oxo-1-isobenzofurancarbonitrile IUPAC Name: 1-(2,6-dimethyl-5-oxooxan-3-yl)-7-methoxy-3-oxo-2-benzofuran-1-carbonitrile Traditional Name: 3-keto-1-(5-keto-2,6-dimethyl-tetrahydropyran-3-yl)-7-methoxy-phthalan-1-carbonitrile Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(=O)C(O1)C)C2(C3=C(C=CC=C3OC)C(=O)O2)C#N

Isomeric SMILES

CC1C(CC(=O)C(O1)C)C2(C3=C(C=CC=C3OC)C(=O)O2)C#N

InChI

InChI=1S/C17H17NO5/c1-9-12(7-13(19)10(2)22-9)17(8-18)15-11(16(20)23-17)5-4-6-14(15)21-3/h4-6,9-10,12H,7H2,1-3H3