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

Systemtic Name: 3-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]propionic acid Formula: C12H11ClFNO3 MolecularWeight: 271.672043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=CC(=O)NCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=C/C(=O)NCCC(=O)O)F

InChI

InChI=1S/C12H11ClFNO3/c13-9-2-1-3-10(14)8(9)4-5-11(16)15-7-6-12(17)18/h1-5H,6-7H2,(H,15,16)(H,17,18)/b5-4+