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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO4/c1-20-13(19)11(7-17)16-12(18)5-2-8-6-9(14)3-4-10(8)15/h2-6,11,17H,7H2,1H3,(H,16,18)/b5-2+