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

Systemtic Name: (2E)-2-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-6-7-23-16-14(19)9-12(10-15(16)22-5)8-13(11-20)17(21)18(2,3)4/h6,8-10H,1,7H2,2-5H3/b13-8+