(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3S)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H16F3N3O4 MolecularWeight: 395.33255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O4/c1-10(23)14(7-22)15(25)9-28-17(27)11-5-16(26)24(8-11)13-4-2-3-12(6-13)18(19,20)21/h2-4,6,11,14,23H,5,8-9H2,1H3/t11-,14?/m0/s1