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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(m-tolyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(m-tolyl)acrylamide Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O3/c1-11-3-2-4-14(5-11)21-18(22)13(9-20)6-12-7-16-17(8-15(12)19)24-10-23-16/h2-8H,10H2,1H3,(H,21,22)/b13-6+