3-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(3-chloro-4-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=C1C=CC(=O)NCCC(=O)O)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClFNO3/c13-9-7-8(1-3-10(9)14)2-4-11(16)15-6-5-12(17)18/h1-4,7H,5-6H2,(H,15,16)(H,17,18)/b4-2+