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

Systemtic Name: (E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)Br)OCC

InChI

InChI=1S/C22H21BrN2O5/c1-3-27-20-11-14(10-17(23)21(20)28-4-2)9-15(13-24)22(26)25-16-5-6-18-19(12-16)30-8-7-29-18/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,26)/b15-9+