Chem
J-GLOBAL ID：200907087992876580   Nikkaji number：J2.738.050F

2-[(E)-2-Nitroethenyl]-4-[4-(tert-butyloxycarbonylamino)phenyl]thiophene-3-carbonitrile

tert-ブチル N-(4-{4-シアノ-5-[(1E)-2-ニトロエテニル]チオフェン-3-イル}フェニル)カルバマート
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： C18H17N2[N+]O3[O-]S
Molecular formula furigana： C18-H17-N3-O4-S
Molecular weight： 371.410
InChI： InChI=1S/C18H17N3O4S/c1-18(2,3)25-17(22)20-13-6-4-12(5-7-13)15-11-26-16(14(15)10-19)8-9-21(23)24/h4-9,11H,1-3H3,(H,20,22)/b9-8+
InChI key： VROUWSMRECFNCL-CMDGGOBGSA-N
SMILES： CC(C)(C)OC(=O)Nc1ccc(cc1)c1csc(/C=C/[N+](=O)[O-])c1C#N
Systematic name  (3)：
  • 2-[(E)-2-ニトロエテニル]-4-[4-(tert-ブチルオキシカルボニルアミノ)フェニル]チオフェン-3-カルボニトリル
  • tert-ブチル N-(4-{4-シアノ-5-[(1E)-2-ニトロエテニル]チオフェン-3-イル}フェニル)カルバマート
  • tert-butyl N-(4-{4-cyano-5-[(1E)-2-nitroethenyl]thiophen-3-yl}phenyl)carbamate
Other name (1)：
  • 2-[(E)-2-Nitroethenyl]-4-[4-(tert-butyloxycarbonylamino)phenyl]thiophene-3-carbonitrile
Thsaurus map：
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