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CHEBI:131345 - methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

ChEBI IDCHEBI:131345
ChEBI Namemethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Stars
DefinitionA pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H15F3N2O4
Net Charge0
Average Mass356.300
Monoisotopic Mass356.09839
SMILESCOC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3
InChIKeyZFLWDHHVRRZMEI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345) is a (trifluoromethyl)benzenes (CHEBI:83565)
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345) is a C-nitro compound (CHEBI:35716)
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345) is a dihydropyridine (CHEBI:50075)
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345) is a methyl ester (CHEBI:25248)
Incoming Relation(s)
(R)-Bay-K-8644 (CHEBI:131349) is a methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345)
(S)-Bay-K-8644 (CHEBI:131347) is a methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345)
IUPAC Name 
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate