2-[3,4-bis(fluoranyl)phenyl]-2-(3-bromophenyl)-4-cyano-butanoic acid

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-(3-bromophenyl)-4-cyano-butanoic acid Openeye Name: 2-(3-bromophenyl)-4-cyano-2-(3,4-difluorophenyl)butanoic acid CAS Name: 2-(3-bromophenyl)-4-cyano-2-(3,4-difluorophenyl)butanoic acid IUPAC Name: 2-(3-bromophenyl)-4-cyano-2-(3,4-difluorophenyl)butanoic acid Traditional Name: 2-(3-bromophenyl)-4-cyano-2-(3,4-difluorophenyl)butyric acid Formula: C17H12BrF2NO2 MolecularWeight: 380.183486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(CCC#N)(C2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(CCC#N)(C2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C17H12BrF2NO2/c18-13-4-1-3-11(9-13)17(16(22)23,7-2-8-21)12-5-6-14(19)15(20)10-12/h1,3-6,9-10H,2,7H2,(H,22,23)