2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]terephthalic acid Formula: C16H11ClFNO5 MolecularWeight: 351.713643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFNO5/c17-11-2-1-3-12(18)10(11)7-14(20)19-13-6-8(15(21)22)4-5-9(13)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)