(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C18H18ClN3O5/c1-10(21)13(7-20)15(23)9-27-18(25)11-5-17(24)22(8-11)14-6-12(19)3-4-16(14)26-2/h3-4,6,11,13,21H,5,8-9H2,1-2H3/t11-,13?/m0/s1