(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H16BrN3O7 MolecularWeight: 490.26094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br)OC

InChI

InChI=1S/C20H16BrN3O7/c1-28-16-6-11(13(21)7-17(16)29-2)5-12(10-22)20(25)23-14-8-18-19(31-4-3-30-18)9-15(14)24(26)27/h5-9H,3-4H2,1-2H3,(H,23,25)/b12-5+