Chem
J-GLOBAL ID：200907019893795343   Nikkaji number：J2.583.412G

(S)-α-Fluoro-α-cyano-N-[(S)-α-methyl-4-nitrobenzyl]-4-methylbenzeneacetamide

(S)-α-フルオロ-α-シアノ-N-[(S)-α-メチル-4-ニトロベンジル]-4-メチルベンゼンアセトアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H16FN2[N+]O2[O-]
Molecular formula furigana： C18-H16-F-N3-O3
Molecular weight： 341.342
InChI： InChI=1S/C18H16FN3O3/c1-12-3-7-15(8-4-12)18(19,11-20)17(23)21-13(2)14-5-9-16(10-6-14)22(24)25/h3-10,13H,1-2H3,(H,21,23)/t13-,18+/m0/s1
InChI key： KYKSDXNODOJUBK-SCLBCKFNSA-N
SMILES： C[C@H](NC(=O)[C@@](F)(C#N)c1ccc(C)cc1)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • (S)-α-フルオロ-α-シアノ-N-[(S)-α-メチル-4-ニトロベンジル]-4-メチルベンゼンアセトアミド
  • (2S)-2-シアノ-2-フルオロ-2-(4-メチルフェニル)-N-[(1S)-1-(4-ニトロフェニル)エチル]アセトアミド
  • (2S)-2-cyano-2-fluoro-2-(4-methylphenyl)-N-[(1S)-1-(4-nitrophenyl)ethyl]acetamide
Other name (1)：
  • (S)-α-Fluoro-α-cyano-N-[(S)-α-methyl-4-nitrobenzyl]-4-methylbenzeneacetamide
Thsaurus map：
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