Chem
J-GLOBAL ID:200907049462645260   Nikkaji number:J2.620.237J

2-[α-(Tosylamino)-4-nitrobenzyl]-3-pentenenitrile

2-[α-(トシルアミノ)-4-ニトロベンジル]-3-ペンテンニトリル
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: C19H19N2[N+]O3[O-]S
Molecular formula furigana: C19-H19-N3-O4-S
Molecular weight: 385.440
InChI: InChI=1S/C19H19N3O4S/c1-3-4-16(13-20)19(15-7-9-17(10-8-15)22(23)24)21-27(25,26)18-11-5-14(2)6-12-18/h3-12,16,19,21H,1-2H3
InChI key: UJXIXESSGUDXDR-UHFFFAOYSA-N
SMILES: CC=CC(C#N)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • 2-[α-(トシルアミノ)-4-ニトロベンジル]-3-ペンテンニトリル
  • 2-[(4-メチルベンゼンスルホンアミド)(4-ニトロフェニル)メチル]ペンタ-3-エンニトリル
  • 2-[(4-methylbenzenesulfonamido)(4-nitrophenyl)methyl]pent-3-enenitrile
Other name (1):
  • 2-[α-(Tosylamino)-4-nitrobenzyl]-3-pentenenitrile
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