(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4,6-trimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-mesityl-acrylamide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3/c1-11-4-12(2)18(13(3)5-11)23-20(24)15(9-22)6-14-7-16(21)19-17(8-14)25-10-26-19/h4-8H,10H2,1-3H3,(H,23,24)/b15-6+