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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C=CC1=CC=CC=C1Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CC=CC=C1Br

InChI

InChI=1S/C13H14BrNO3/c1-2-11(13(17)18)15-12(16)8-7-9-5-3-4-6-10(9)14/h3-8,11H,2H2,1H3,(H,15,16)(H,17,18)/b8-7+