4-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(3-chloro-4-fluoro-anilino)methyl]benzoic acid CAS Name: 4-[(3-chloro-4-fluoroanilino)methyl]benzoic acid IUPAC Name: 4-[(3-chloro-4-fluoroanilino)methyl]benzoic acid Traditional Name: 4-[(3-chloro-4-fluoro-anilino)methyl]benzoic acid Formula: C14H11ClFNO2 MolecularWeight: 279.694043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C14H11ClFNO2/c15-12-7-11(5-6-13(12)16)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19)