(2E)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-pivaloyl-acrylonitrile Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC2=C(C=C1Br)OCO2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC2=C(C=C1Br)OCO2)/C#N

InChI

InChI=1S/C15H14BrNO3/c1-15(2,3)14(18)10(7-17)4-9-5-12-13(6-11(9)16)20-8-19-12/h4-6H,8H2,1-3H3/b10-4+