(E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tris(bromanyl)-2-cyano-but-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tris(bromanyl)-2-cyano-but-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tribromo-2-cyano-but-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tribromo-2-cyano-2-butenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tribromo-2-cyanobut-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-4,4,4-tribromo-2-cyano-but-2-enamide Formula: C12H7Br3N2O3 MolecularWeight: 466.90758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(=CC(Br)(Br)Br)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)/C(=C/C(Br)(Br)Br)/C#N

InChI

InChI=1S/C12H7Br3N2O3/c13-12(14,15)4-7(5-16)11(18)17-8-1-2-9-10(3-8)20-6-19-9/h1-4H,6H2,(H,17,18)/b7-4+