(2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-hex-5-ynenitrile

Systemtic Name: (2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-hex-5-ynenitrile Openeye Name: (2E)-2-[(4-methoxyphenyl)methylene]-4,4-dimethyl-3-oxo-hex-5-ynenitrile CAS Name: (2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxo-5-hexynenitrile IUPAC Name: (2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxohex-5-ynenitrile Traditional Name: (2E)-3-keto-4,4-dimethyl-2-p-anisylidene-hex-5-ynenitrile Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(=O)C(=CC1=CC=C(C=C1)OC)C#N

Isomeric SMILES

CC(C)(C#C)C(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N

InChI

InChI=1S/C16H15NO2/c1-5-16(2,3)15(18)13(11-17)10-12-6-8-14(19-4)9-7-12/h1,6-10H,2-4H3/b13-10+