[(1R)-1-cyanoethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H12ClNO4 MolecularWeight: 269.68098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C#N)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C)C#N)Cl)O

InChI

InChI=1S/C12H12ClNO4/c1-3-17-10-5-8(4-9(13)11(10)15)12(16)18-7(2)6-14/h4-5,7,15H,3H2,1-2H3/t7-/m1/s1