Chem
J-GLOBAL ID:200907036410006507   Nikkaji number:J1.948.116F

2-Nitrobenzoic acid 4β-tert-butylcyclohexane-1α-yl ester

2-ニトロ安息香酸4β-tert-ブチルシクロヘキサン-1α-イル
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: C17H23[N+]O3[O-]
Molecular formula furigana: C17-H23-N-O4
Molecular weight: 305.374
InChI: InChI=1S/C17H23NO4/c1-17(2,3)12-8-10-13(11-9-12)22-16(19)14-6-4-5-7-15(14)18(20)21/h4-7,12-13H,8-11H2,1-3H3/t12-,13-
InChI key: MGZLNVDIJZWWPO-JOCQHMNTSA-N
SMILES: CC(C)(C)[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1[N+](=O)[O-]
Systematic name  (3):
  • 2-ニトロ安息香酸4β-tert-ブチルシクロヘキサン-1α-イル
  • (1r,4r)-4-tert-ブチルシクロヘキシル 2-ニトロベンゾアート
  • (1r,4r)-4-tert-butylcyclohexyl 2-nitrobenzoate
Other name (1):
  • 2-Nitrobenzoic acid 4β-tert-butylcyclohexane-1α-yl ester
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