3-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 3-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]butyric acid Formula: C13H13ClFNO3 MolecularWeight: 285.698623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(CC(=O)O)NC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H13ClFNO3/c1-8(7-13(18)19)16-12(17)6-5-9-10(14)3-2-4-11(9)15/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)/b6-5+