CHEBI:93962 - (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
ChEBI ID CHEBI:93962
Stars This entity has been manually annotated by a third party.
Supplier Information
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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/t13-/m0/s1
InChIKey ZFLWDHHVRRZMEI-ZDUSSCGKSA-N
SMILES CC1=C([C@@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
ChEBI Ontology
Outgoing (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester (CHEBI:93962) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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