(2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-6-ethoxy-phenyl) 1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-4-cyano-6-ethoxy-phenyl) 1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-ethoxyphenyl) 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid (2-chloro-4-cyano-6-ethoxy-phenyl) ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H19ClN2O5/c1-3-28-18-8-13(11-23)7-17(22)20(18)29-21(26)14-9-19(25)24(12-14)15-5-4-6-16(10-15)27-2/h4-8,10,14H,3,9,12H2,1-2H3