dimethyl (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyano-oxolane-3,4-dicarboxylate

Systemtic Name: dimethyl (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyano-oxolane-3,4-dicarboxylate Openeye Name: dimethyl (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyano-tetrahydrofuran-3,4-dicarboxylate CAS Name: (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyanooxolane-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyanooxolane-3,4-dicarboxylate Traditional Name: (3R,4R,5S)-5-(4-chlorophenyl)-2,2-dicyano-tetrahydrofuran-3,4-dicarboxylic acid dimethyl ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC(C1C(=O)OC)(C#N)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H]1[C@H](OC([C@@H]1C(=O)OC)(C#N)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O5/c1-22-14(20)11-12(15(21)23-2)16(7-18,8-19)24-13(11)9-3-5-10(17)6-4-9/h3-6,11-13H,1-2H3/t11-,12+,13-/m1/s1