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

Systemtic Name: nonyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C24H31F3N2O5 MolecularWeight: 484.50855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N2O5/c1-4-5-6-7-8-9-12-15-33-23(30)20-16(2)28-17(3)22(29(31)32)21(20)18-13-10-11-14-19(18)34-24(25,26)27/h10-11,13-14,21,28H,4-9,12,15H2,1-3H3