Chem
J-GLOBAL ID：200907027236349182   Nikkaji number：J1.533.371E

4-Nitrobenzoic acid (1S)-5-oxospiro[cyclopentane-1,1′-indan]-2α-yl ester

4-ニトロ安息香酸(1S)-5-オキソスピロ[シクロペンタン-1,1′-インダン]-2α-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： C20H17[N+]O4[O-]
Molecular formula furigana： C20-H17-N-O5
Molecular weight： 351.358
InChI： InChI=1S/C20H17NO5/c22-17-9-10-18(20(17)12-11-13-3-1-2-4-16(13)20)26-19(23)14-5-7-15(8-6-14)21(24)25/h1-8,18H,9-12H2/t18-,20-/m1/s1
InChI key： NSJPBNUOSAFMOT-UYAOXDASSA-N
SMILES： [O-][N+](=O)c1ccc(cc1)C(=O)O[C@@H]1CCC(=O)[C@@]21CCc1ccccc21
Systematic name  (3)：
  • 4-ニトロ安息香酸(1S)-5-オキソスピロ[シクロペンタン-1,1′-インダン]-2α-イル
  • (1S,5R)-2-オキソ-2',3'-ジヒドロスピロ[シクロペンタン-1,1'-インデン]-5-イル 4-ニトロベンゾアート
  • (1S,5R)-2-oxo-2',3'-dihydrospiro[cyclopentane-1,1'-inden]-5-yl 4-nitrobenzoate
Other name (1)：
  • 4-Nitrobenzoic acid (1S)-5-oxospiro[cyclopentane-1,1′-indan]-2α-yl ester
Thsaurus map：
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