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

Systemtic Name: 2-pyridin-2-ylethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-(2-pyridyl)ethyl 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 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl 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 2-(2-pyridyl)ethyl ester Formula: C22H20F3N3O5 MolecularWeight: 463.40651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)OCCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)OCCC3=CC=CC=N3

InChI

InChI=1S/C22H20F3N3O5/c1-13-18(21(29)32-12-10-15-7-5-6-11-26-15)19(20(28(30)31)14(2)27-13)16-8-3-4-9-17(16)33-22(23,24)25/h3-9,11,19,27H,10,12H2,1-2H3