(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-phenethyl-acrylamide Formula: C19H15BrN2O3 MolecularWeight: 399.238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H15BrN2O3/c20-16-9-14(10-17-18(16)25-12-24-17)8-15(11-21)19(23)22-7-6-13-4-2-1-3-5-13/h1-5,8-10H,6-7,12H2,(H,22,23)/b15-8+