Chem
J-GLOBAL ID:200907093468116683   Nikkaji number:J1.443.106C

2β-(4-Nitrophenyl)-3,3-dicyanocyclopropane-1α-carboxylic acid (1R,3R,4S)-8-phenyl-p-menthane-3-yl ester

2β-(4-ニトロフェニル)-3,3-ジシアノシクロプロパン-1α-カルボン酸(1R,3R,4S)-8-フェニル-p-メンタン-3-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: C28H29N2[N+]O3[O-]
Molecular formula furigana: C28-H29-N3-O4
Molecular weight: 471.557
InChI: InChI=1S/C28H29N3O4/c1-18-9-14-22(27(2,3)20-7-5-4-6-8-20)23(15-18)35-26(32)25-24(28(25,16-29)17-30)19-10-12-21(13-11-19)31(33)34/h4-8,10-13,18,22-25H,9,14-15H2,1-3H3/t18-,22-,23-,24-,25+/m1/s1
InChI key: MAVZZEQJDRSZAA-BQJLFWIDSA-N
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1[C@@H](c2ccc(cc2)[N+](=O)[O-])C1(C#N)C#N)C(C)(C)c1ccccc1
Systematic name  (4):
  • (1R)-2,2-ジシアノ-3α-(4-ニトロフェニル)シクロプロパン-1β-カルボン酸(1R,3R,4S)-8-フェニル-p-メンタン-3-イル
  • 2β-(4-ニトロフェニル)-3,3-ジシアノシクロプロパン-1α-カルボン酸(1R,3R,4S)-8-フェニル-p-メンタン-3-イル
  • (1R,2S,5R)-5-メチル-2-(2-フェニルプロパン-2-イル)シクロヘキシル (1R,3S)-2,2-ジシアノ-3-(4-ニトロフェニル)シクロプロパン-1-カルボキシラート
  • (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl (1R,3S)-2,2-dicyano-3-(4-nitrophenyl)cyclopropane-1-carboxylate
Other name (2):
  • (1R)-2,2-Dicyano-3α-(4-nitrophenyl)cyclopropane-1β-carboxylic acid (1R,3R,4S)-8-phenyl-p-menthane-3-yl ester
  • 2β-(4-Nitrophenyl)-3,3-dicyanocyclopropane-1α-carboxylic acid (1R,3R,4S)-8-phenyl-p-menthane-3-yl ester
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