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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-methyl-amino]ethanoate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]-methyl-amino]acetate CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-methylamino]acetate Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]-methyl-amino]acetic acid methyl ester Formula: C13H13BrFNO3 MolecularWeight: 330.149623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO3/c1-16(8-13(18)19-2)12(17)6-3-9-7-10(14)4-5-11(9)15/h3-7H,8H2,1-2H3/b6-3+