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

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(3-bromophenyl)acryloyl]amino]butyric acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C=CC1=CC(=CC=C1)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C13H14BrNO3/c1-2-11(13(17)18)15-12(16)7-6-9-4-3-5-10(14)8-9/h3-8,11H,2H2,1H3,(H,15,16)(H,17,18)/b7-6+