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

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ChEBI Name methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
ChEBI ID CHEBI:131345
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H15F3N2O4
Net Charge 0
Average Mass 356.297
Monoisotopic Mass 356.09839
InChI InChI=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
InChIKey ZFLWDHHVRRZMEI-UHFFFAOYSA-N
SMILES C1(C(=C(NC(=C1[N+](=O)[O-])C)C)C(OC)=O)C=2C(=CC=CC2)C(F)(F)F
ChEBI Ontology
Outgoing 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 (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
Last Modified
08 July 2016