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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c1-9(8-13(17)18)15-12(16)7-4-10-2-5-11(14)6-3-10/h2-7,9H,8H2,1H3,(H,15,16)(H,17,18)/b7-4+