(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]-2-cyano-N-(4-ethanoylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]-2-cyano-N-(4-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(4-acetylphenyl)-3-[4-[(3-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetylphenyl)-3-[4-[(3-bromophenyl)methoxy]phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetylphenyl)-3-[4-[(3-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetylphenyl)-3-[4-(3-bromobenzyl)oxyphenyl]-2-cyano-acrylamide Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C25H19BrN2O3/c1-17(29)20-7-9-23(10-8-20)28-25(30)21(15-27)13-18-5-11-24(12-6-18)31-16-19-3-2-4-22(26)14-19/h2-14H,16H2,1H3,(H,28,30)/b21-13+