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

Systemtic Name: heptyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: heptyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid heptyl ester IUPAC Name: heptyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid heptyl ester Formula: C22H27F3N2O5 MolecularWeight: 456.45539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H27F3N2O5/c1-4-5-6-7-10-13-31-21(28)18-14(2)26-15(3)20(27(29)30)19(18)16-11-8-9-12-17(16)32-22(23,24)25/h8-9,11-12,19,26H,4-7,10,13H2,1-3H3