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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c1-9-3-4-10(11(14)7-9)5-6-12(16)15(2)8-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/b6-5+