ethyl (E)-4-chloranyl-2-oxidanyl-3-(phenylcarbonyl)but-3-enoate

Systemtic Name: ethyl (E)-4-chloranyl-2-oxidanyl-3-(phenylcarbonyl)but-3-enoate Openeye Name: ethyl (E)-3-benzoyl-4-chloro-2-hydroxy-but-3-enoate CAS Name: (E)-3-benzoyl-4-chloro-2-hydroxy-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-benzoyl-4-chloro-2-hydroxybut-3-enoate Traditional Name: (E)-3-benzoyl-4-chloro-2-hydroxy-but-3-enoic acid ethyl ester Formula: C13H13ClO4 MolecularWeight: 268.69292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=CCl)C(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)C(/C(=C\Cl)/C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C13H13ClO4/c1-2-18-13(17)12(16)10(8-14)11(15)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3/b10-8-