Chem
J-GLOBAL ID：201707003061588908
Nikkaji number：J3.595.166K
(R)-2-(4-Methylphenyl)-2-(2-methyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid isopropyl ester
(R)-2-(4-メチルフェニル)-2-(2-メチル-5-オキソ-2,5-ジヒドロフラン-2β-イル)-3-ニトロプロパン酸イソプロピル
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
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
Molecular formula： C18H21[N+]O5[O-]
Molecular formula furigana： C18-H21-N-O6
Molecular weight： 347.367
InChI：
InChI=1S/C18H21NO6/c1-12(2)24-16(21)18(11-19(22)23,14-7-5-13(3)6-8-14)17(4)10-9-15(20)25-17/h5-10,12H,11H2,1-4H3/t17-,18-/m1/s1
InChI key：
DQCLJTBZPHQJHU-QZTJIDSGSA-N
SMILES：
CC(C)OC(=O)[C@@](C[N+](=O)[O-])(c1ccc(C)cc1)[C@]1(C)OC(=O)C=C1
Systematic name (3)：
- (R)-2-(4-メチルフェニル)-2-(2-メチル-5-オキソ-2,5-ジヒドロフラン-2β-イル)-3-ニトロプロパン酸イソプロピル
- プロパン-2-イル (2R)-2-[(2R)-2-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル]-2-(4-メチルフェニル)-3-ニトロプロパノアート
- propan-2-yl (2R)-2-[(2R)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]-2-(4-methylphenyl)-3-nitropropanoate
- (R)-2-(4-Methylphenyl)-2-(2-methyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid isopropyl ester
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