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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-methoxyphenyl)acrylamide Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H13BrN2O4/c1-23-14-4-2-3-13(7-14)21-18(22)12(9-20)5-11-6-16-17(8-15(11)19)25-10-24-16/h2-8H,10H2,1H3,(H,21,22)/b12-5+