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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]-methyl-amino]acetic acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-15(8-13(17)18)12(16)6-3-9-7-10(14)4-5-11(9)19-2/h3-7H,8H2,1-2H3,(H,17,18)/b6-3+