2-[[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanenitrile

Systemtic Name: 2-[[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanenitrile Openeye Name: 2-[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl]oxyacetonitrile CAS Name: 2-[[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl]oxy]acetonitrile IUPAC Name: 2-[[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile Traditional Name: 2-[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl]oxyacetonitrile Formula: C19H12BrNO5 MolecularWeight: 414.20628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Br)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC#N)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Br)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OCC#N)OCO1

InChI

InChI=1S/C19H12BrNO5/c20-13-5-11(19-12(6-13)9-23-10-25-19)7-17-18(22)15-2-1-14(24-4-3-21)8-16(15)26-17/h1-2,5-8H,4,9-10H2/b17-7-