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

Systemtic Name: octyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C23H29F3N2O5 MolecularWeight: 470.48197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29F3N2O5/c1-4-5-6-7-8-11-14-32-22(29)19-15(2)27-16(3)21(28(30)31)20(19)17-12-9-10-13-18(17)33-23(24,25)26/h9-10,12-13,20,27H,4-8,11,14H2,1-3H3