2-(2-bromophenyl)-3-(4-cyanophenyl)propanoic acid

Systemtic Name: 2-(2-bromophenyl)-3-(4-cyanophenyl)propanoic acid Openeye Name: 2-(2-bromophenyl)-3-(4-cyanophenyl)propanoic acid CAS Name: 2-(2-bromophenyl)-3-(4-cyanophenyl)propanoic acid IUPAC Name: 2-(2-bromophenyl)-3-(4-cyanophenyl)propanoic acid Traditional Name: 2-(2-bromophenyl)-3-(4-cyanophenyl)propionic acid Formula: C16H12BrNO2 MolecularWeight: 330.17598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO2/c17-15-4-2-1-3-13(15)14(16(19)20)9-11-5-7-12(10-18)8-6-11/h1-8,14H,9H2,(H,19,20)