(2E)-2-[(5-bromanyl-2-propoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(5-bromanyl-2-propoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(5-bromo-2-propoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(5-bromo-2-propoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(5-bromo-2-propoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C17H20BrNO2 MolecularWeight: 350.2502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)C(C)(C)C

InChI

InChI=1S/C17H20BrNO2/c1-5-8-21-15-7-6-14(18)10-12(15)9-13(11-19)16(20)17(2,3)4/h6-7,9-10H,5,8H2,1-4H3/b13-9+