[(E)-3-cyano-4-oxidanyl-but-2-enyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [(E)-3-cyano-4-oxidanyl-but-2-enyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [(E)-3-cyano-4-hydroxy-but-2-enyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [(E)-3-cyano-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-3-cyano-4-hydroxybut-2-enyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [(E)-3-cyano-4-hydroxy-but-2-enyl] ester Formula: C12H9ClFNO3 MolecularWeight: 269.656163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)C(=O)OCC=C(CO)C#N

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)C(=O)OC/C=C(/CO)\C#N

InChI

InChI=1S/C12H9ClFNO3/c13-11-5-9(14)1-2-10(11)12(17)18-4-3-8(6-15)7-16/h1-3,5,16H,4,7H2/b8-3+