[(1S)-1-cyanoethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-1-cyanoethyl] ester Formula: C12H8ClNO3 MolecularWeight: 249.64982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C12H8ClNO3/c1-7(6-14)16-12(15)11-5-8-4-9(13)2-3-10(8)17-11/h2-5,7H,1H3/t7-/m0/s1