2-[[(E)-4-bromanylbut-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-4-bromanylbut-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-4-bromobut-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-4-bromo-1-oxobut-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-4-bromobut-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-4-bromobut-2-enoyl]amino]-3-phenyl-propionic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=CCBr

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c14-8-4-7-12(16)15-11(13(17)18)9-10-5-2-1-3-6-10/h1-7,11H,8-9H2,(H,15,16)(H,17,18)/b7-4+