(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-11(21)14(8-20)16(23)10-28-19(25)12-6-18(24)22(9-12)15-5-4-13(26-2)7-17(15)27-3/h4-5,7,12,14,21H,6,9-10H2,1-3H3/t12-,14?/m0/s1