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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-hydroxy-butyric acid Formula: C13H13BrFNO4 MolecularWeight: 346.149023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO4/c1-7(17)12(13(19)20)16-11(18)5-2-8-6-9(14)3-4-10(8)15/h2-7,12,17H,1H3,(H,16,18)(H,19,20)/b5-2+