ethyl 5-cyano-4-(4-nitrophenyl)-2-oxidanyl-6-oxidanylidene-2-(trifluoromethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-nitrophenyl)-2-oxidanyl-6-oxidanylidene-2-(trifluoromethyl)piperidine-3-carboxylate Openeye Name: ethyl 5-cyano-2-hydroxy-4-(4-nitrophenyl)-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate CAS Name: 5-cyano-2-hydroxy-4-(4-nitrophenyl)-6-oxo-2-(trifluoromethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-hydroxy-4-(4-nitrophenyl)-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate Traditional Name: 5-cyano-2-hydroxy-6-keto-4-(4-nitrophenyl)-2-(trifluoromethyl)nipecotic acid ethyl ester Formula: C16H14F3N3O6 MolecularWeight: 401.29407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)NC1(C(F)(F)F)O)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C(C(=O)NC1(C(F)(F)F)O)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N3O6/c1-2-28-14(24)12-11(8-3-5-9(6-4-8)22(26)27)10(7-20)13(23)21-15(12,25)16(17,18)19/h3-6,10-12,25H,2H2,1H3,(H,21,23)