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

Systemtic Name: (2E)-2-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO2/c1-5-8-21-15-7-6-14(18)10-12(15)9-13(11-19)16(20)17(2,3)4/h1,6-7,9-10H,8H2,2-4H3/b13-9+