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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CN(CC(=O)O)C(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C12H11BrFNO3/c1-15(7-12(17)18)11(16)5-2-8-6-9(13)3-4-10(8)14/h2-6H,7H2,1H3,(H,17,18)/b5-2+