2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-5-methanoyl-benzoic acid

Systemtic Name: 2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-5-methanoyl-benzoic acid Openeye Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-formyl-benzoic acid CAS Name: 2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-5-formylbenzoic acid IUPAC Name: 2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-5-formylbenzoic acid Traditional Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-formyl-benzoic acid Formula: C16H8F3NO3 MolecularWeight: 319.23483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)C=O)F)F)F

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)C=O)F)F)F

InChI

InChI=1S/C16H8F3NO3/c1-2-8-3-4-12(11(17)5-8)20-15-10(16(22)23)6-9(7-21)13(18)14(15)19/h1,3-7,20H,(H,22,23)