dimethyl 2-[(E)-1-bromanyl-4-(phenylcarbonyloxy)but-1-en-2-yl]propanedioate

Systemtic Name: dimethyl 2-[(E)-1-bromanyl-4-(phenylcarbonyloxy)but-1-en-2-yl]propanedioate Openeye Name: dimethyl 2-[(1E)-3-benzoyloxy-1-(bromomethylene)propyl]propanedioate CAS Name: 2-[(E)-4-benzoyloxy-1-bromobut-1-en-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-benzoyloxy-1-bromobut-1-en-2-yl]propanedioate Traditional Name: 2-[(E)-1-(2-benzoyloxyethyl)-2-bromo-vinyl]malonic acid dimethyl ester Formula: C16H17BrO6 MolecularWeight: 385.20658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=CBr)CCOC(=O)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(/C(=C/Br)/CCOC(=O)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H17BrO6/c1-21-15(19)13(16(20)22-2)12(10-17)8-9-23-14(18)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/b12-10+