3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]propionic acid Formula: C12H11BrFNO3 MolecularWeight: 316.123043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)NCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)NCCC(=O)O)F

InChI

InChI=1S/C12H11BrFNO3/c13-9-2-3-10(14)8(7-9)1-4-11(16)15-6-5-12(17)18/h1-4,7H,5-6H2,(H,15,16)(H,17,18)/b4-1+