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

Systemtic Name: 2-[4-[(E)-3-(3-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3-bromophenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3-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(=C1)Br)C(=O)C=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO2/c18-15-3-1-2-14(12-15)17(20)9-6-13-4-7-16(8-5-13)21-11-10-19/h1-9,12H,11H2/b9-6+