(E)-2-(2,5-dimethylphenyl)carbonyl-4-methoxy-hex-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethylphenyl)carbonyl-4-methoxy-hex-2-enenitrile Openeye Name: (E)-2-(2,5-dimethylbenzoyl)-4-methoxy-hex-2-enenitrile CAS Name: (E)-2-[(2,5-dimethylphenyl)-oxomethyl]-4-methoxy-2-hexenenitrile IUPAC Name: (E)-2-(2,5-dimethylbenzoyl)-4-methoxyhex-2-enenitrile Traditional Name: (E)-2-(2,5-dimethylbenzoyl)-4-methoxy-hex-2-enenitrile Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/c1-5-14(19-4)9-13(10-17)16(18)15-8-11(2)6-7-12(15)3/h6-9,14H,5H2,1-4H3/b13-9+