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

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N

Isomeric SMILES

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

InChI

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