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

Systemtic Name: (2E)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-oxo-pentanenitrile CAS Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propionyl-acrylonitrile Formula: C13H10BrNO3 MolecularWeight: 308.1274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrNO3/c1-2-11(16)9(6-15)3-8-4-12-13(5-10(8)14)18-7-17-12/h3-5H,2,7H2,1H3/b9-3+