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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3,5-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3,5-dimethylphenyl)acrylamide Formula: C19H15BrN2O3 MolecularWeight: 399.238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O3/c1-11-3-12(2)5-15(4-11)22-19(23)14(9-21)6-13-7-17-18(8-16(13)20)25-10-24-17/h3-8H,10H2,1-2H3,(H,22,23)/b14-6+