diethyl 2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethyliminomethyl]propanedioate

Systemtic Name: diethyl 2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethyliminomethyl]propanedioate Openeye Name: diethyl 2-[2-[[3-(trifluoromethyl)-2-pyridyl]amino]ethyliminomethyl]propanedioate CAS Name: 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyliminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethyliminomethyl]propanedioate Traditional Name: 2-[2-[[3-(trifluoromethyl)-2-pyridyl]amino]ethyliminomethyl]malonic acid diethyl ester Formula: C16H20F3N3O4 MolecularWeight: 375.34291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCNC1=C(C=CC=N1)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C=NCCNC1=C(C=CC=N1)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H20F3N3O4/c1-3-25-14(23)11(15(24)26-4-2)10-20-8-9-22-13-12(16(17,18)19)6-5-7-21-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,22)