2-[[(E)-4-[4-(4-bromophenyl)carbonylphenoxy]but-2-enyl]-methyl-amino]ethanenitrile

Systemtic Name: 2-[[(E)-4-[4-(4-bromophenyl)carbonylphenoxy]but-2-enyl]-methyl-amino]ethanenitrile Openeye Name: 2-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methyl-amino]acetonitrile CAS Name: 2-[[(E)-4-[4-[(4-bromophenyl)-oxomethyl]phenoxy]but-2-enyl]-methylamino]acetonitrile IUPAC Name: 2-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methylamino]acetonitrile Traditional Name: 2-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methyl-amino]acetonitrile Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2/c1-23(14-12-22)13-2-3-15-25-19-10-6-17(7-11-19)20(24)16-4-8-18(21)9-5-16/h2-11H,13-15H2,1H3/b3-2+