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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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