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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCCC(=O)O

InChI

InChI=1S/C13H14BrNO4/c1-19-11-4-3-10(14)8-9(11)2-5-12(16)15-7-6-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)/b5-2+