2-(bromomethyl)-6-phenyl-benzenecarbonitrile; ethanal

Systemtic Name: 2-(bromomethyl)-6-phenyl-benzenecarbonitrile; ethanal Openeye Name: acetaldehyde; 2-(bromomethyl)-6-phenyl-benzonitrile CAS Name: acetaldehyde; 2-(bromomethyl)-6-phenylbenzonitrile IUPAC Name: acetaldehyde; 2-(bromomethyl)-6-phenylbenzonitrile Traditional Name: acetaldehyde; 2-(bromomethyl)-6-phenyl-benzonitrile Formula: C16H14BrNO MolecularWeight: 316.19246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)CBr)C#N

Isomeric SMILES

CC=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)CBr)C#N

InChI

InChI=1S/C14H10BrN.C2H4O/c15-9-12-7-4-8-13(14(12)10-16)11-5-2-1-3-6-11;1-2-3/h1-8H,9H2;2H,1H3