Chem
J-GLOBAL ID：201807009359555293
Nikkaji number：J3.723.230K
(2R)-4-Nitro-2-[(R)-α-hydroxybenzyl]butanoic acid methyl ester
(2R)-4-ニトロ-2-[(R)-α-ヒドロキシベンジル]ブタン酸メチル
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： C12H15[N+]O4[O-]
Molecular formula furigana： C12-H15-N-O5
Molecular weight： 253.254
InChI：
InChI=1S/C12H15NO5/c1-18-12(15)10(7-8-13(16)17)11(14)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3/t10-,11+/m1/s1
InChI key：
NRYLCPJBLLQKFW-MNOVXSKESA-N
SMILES：
COC(=O)[C@H](CC[N+](=O)[O-])[C@@H](O)c1ccccc1
Systematic name (3)：
- (2R)-4-ニトロ-2-[(R)-α-ヒドロキシベンジル]ブタン酸メチル
- メチル (2R)-2-[(R)-ヒドロキシ(フェニル)メチル]-4-ニトロブタノアート
- methyl (2R)-2-[(R)-hydroxy(phenyl)methyl]-4-nitrobutanoate
- (2R)-4-Nitro-2-[(R)-α-hydroxybenzyl]butanoic acid methyl ester
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