Chem
J-GLOBAL ID：200907059100619843   Nikkaji number：J2.012.304D

N-[(9R)-Cinchonan-9-yl]-3,5-dinitrobenzamide

N-[(9R)-シンコナン-9-イル]-3,5-ジニトロベンズアミド
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： C26H25N3[N+]2O3[O-]2
Molecular formula furigana： C26-H25-N5-O5
Molecular weight： 487.516
InChI： InChI=1S/C26H25N5O5/c1-2-16-15-29-10-8-17(16)13-24(29)25(22-7-9-27-23-6-4-3-5-21(22)23)28-26(32)18-11-19(30(33)34)14-20(12-18)31(35)36/h2-7,9,11-12,14,16-17,24-25H,1,8,10,13,15H2,(H,28,32)/t16-,17-,24+,25+/m0/s1
InChI key： GCNMIHLFUKAOFJ-WAJMBDEPSA-N
SMILES： [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3)：
  • N-[(9R)-シンコナン-9-イル]-3,5-ジニトロベンズアミド
  • N-[(R)-[(2R,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メチル]-3,5-ジニトロベンズアミド
  • N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]-3,5-dinitrobenzamide
Other name (1)：
  • N-[(9R)-Cinchonan-9-yl]-3,5-dinitrobenzamide
Thsaurus map：
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