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

Systemtic Name: 4-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(2-bromophenyl)acryloyl]amino]butyric acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c14-11-5-2-1-4-10(11)7-8-12(16)15-9-3-6-13(17)18/h1-2,4-5,7-8H,3,6,9H2,(H,15,16)(H,17,18)/b8-7+