2-[(2-chloranyl-4-ethynyl-phenyl)amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-ethynyl-phenyl)amino]-4-fluoranyl-benzoic acid Openeye Name: 2-(2-chloro-4-ethynyl-anilino)-4-fluoro-benzoic acid CAS Name: 2-(2-chloro-4-ethynylanilino)-4-fluorobenzoic acid IUPAC Name: 2-(2-chloro-4-ethynylanilino)-4-fluorobenzoic acid Traditional Name: 2-(2-chloro-4-ethynyl-anilino)-4-fluoro-benzoic acid Formula: C15H9ClFNO2 MolecularWeight: 289.688863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)F)C(=O)O)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)F)C(=O)O)Cl

InChI

InChI=1S/C15H9ClFNO2/c1-2-9-3-6-13(12(16)7-9)18-14-8-10(17)4-5-11(14)15(19)20/h1,3-8,18H,(H,19,20)