(E)-3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dibromo-2-hydroxy-phenyl)-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dibromo-2-hydroxyphenyl)-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dibromo-2-hydroxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dibromo-2-hydroxy-phenyl)-N-(4-methoxyphenyl)acrylamide Formula: C17H12Br2N2O3 MolecularWeight: 452.09678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC(=C2O)Br)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC(=C2O)Br)Br)/C#N

InChI

InChI=1S/C17H12Br2N2O3/c1-24-14-4-2-13(3-5-14)21-17(23)11(9-20)6-10-7-12(18)8-15(19)16(10)22/h2-8,22H,1H3,(H,21,23)/b11-6+