3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-prop-2-enyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-prop-2-enyl-phenyl)amino]benzoic acid Openeye Name: 2-(4-allyl-2-fluoro-anilino)-3,4-difluoro-benzoic acid CAS Name: 3,4-difluoro-2-(2-fluoro-4-prop-2-enylanilino)benzoic acid IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-prop-2-enylanilino)benzoic acid Traditional Name: 2-(4-allyl-2-fluoro-anilino)-3,4-difluoro-benzoic acid Formula: C16H12F3NO2 MolecularWeight: 307.26719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

Isomeric SMILES

C=CCC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

InChI

InChI=1S/C16H12F3NO2/c1-2-3-9-4-7-13(12(18)8-9)20-15-10(16(21)22)5-6-11(17)14(15)19/h2,4-8,20H,1,3H2,(H,21,22)