4-azanyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-keto-butyric acid Formula: C12H12ClFN2O4 MolecularWeight: 302.686083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC(=O)NC(CC(=O)N)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC(=O)NC(CC(=O)N)C(=O)O)F

InChI

InChI=1S/C12H12ClFN2O4/c13-7-2-1-3-8(14)6(7)4-11(18)16-9(12(19)20)5-10(15)17/h1-3,9H,4-5H2,(H2,15,17)(H,16,18)(H,19,20)