3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO3/c13-10-4-2-1-3-9(10)5-6-11(15)14-8-7-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+