(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-isobutyryl-acrylonitrile Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO2/c1-9(2)14(17)11(8-16)6-10-7-12(15)4-5-13(10)18-3/h4-7,9H,1-3H3/b11-6+