(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]acrylamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C21H19BrN2O3/c1-12-4-5-13(2)17(6-12)14(3)24-21(25)16(10-23)7-15-8-19-20(9-18(15)22)27-11-26-19/h4-9,14H,11H2,1-3H3,(H,24,25)/b16-7+