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

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]-methyl-amino]acetic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO3/c1-14(8-12(16)17)11(15)7-4-9-2-5-10(13)6-3-9/h2-7H,8H2,1H3,(H,16,17)/b7-4+