2-[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C17H12BrNO2 MolecularWeight: 342.18668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Br)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO2/c18-15-6-4-14(5-7-15)17(20)10-3-13-1-8-16(9-2-13)21-12-11-19/h1-10H,12H2/b10-3+