4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C16H11F4NO4-2 MolecularWeight: 357.256453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=C(C(=CC=C2)C(F)(F)F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=C(C(=CC=C2)C(F)(F)F)F)C(=O)[O-]

InChI

InChI=1S/C16H13F4NO4/c1-6-10(14(22)23)12(11(15(24)25)7(2)21-6)8-4-3-5-9(13(8)17)16(18,19)20/h3-5,12,21H,1-2H3,(H,22,23)(H,24,25)/p-2