3-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]propionic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NCCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCCC(=O)O)Br

InChI

InChI=1S/C13H14BrNO3/c1-9-2-3-10(11(14)8-9)4-5-12(16)15-7-6-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)/b5-4+