6-oxidanylhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 6-oxidanylhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 6-hydroxyhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid 6-hydroxyhexyl ester Formula: C21H25F3N2O5 MolecularWeight: 442.42881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCCCCCCO

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCCCCCCO

InChI

InChI=1S/C21H25F3N2O5/c1-13-17(20(28)31-12-8-4-3-7-11-27)18(19(26(29)30)14(2)25-13)15-9-5-6-10-16(15)21(22,23)24/h5-6,9-10,18,25,27H,3-4,7-8,11-12H2,1-2H3