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

Systemtic Name: 3,3-dimethylbutyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester Formula: C21H25F3N2O5 MolecularWeight: 442.42881

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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)OCCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N2O5/c1-12-16(19(27)30-11-10-20(3,4)5)17(18(26(28)29)13(2)25-12)14-8-6-7-9-15(14)31-21(22,23)24/h6-9,17,25H,10-11H2,1-5H3