Chem
J-GLOBAL ID:201407034743879033
Nikkaji number:J3.235.984A
(2S,3S)-2-[(2,2,6,6-Tetramethylpiperidino)oxy]-3-(4-methoxyphenyl)-4-nitrobutanal
(2S,3S)-2-[(2,2,6,6-テトラメチルピペリジノ)オキシ]-3-(4-メトキシフェニル)-4-ニトロブタナール
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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:
C20 H30 N[N+]O4 [O-]
Molecular formula furigana:
C20-H30-N2-O5
Molecular weight:
378.469
InChI:
InChI=1S/C20H30N2O5/c1-19(2)11-6-12-20(3,4)22(19)27-18(14-23)17(13-21(24)25)15-7-9-16(26-5)10-8-15/h7-10,14,17-18H,6,11-13H2,1-5H3/t17-,18-/m1/s1
InChI key:
NUODXWZXFUJYAD-QZTJIDSGSA-N
SMILES:
COc1ccc(cc1)[C@@H](C[N+](=O)[O-])[C@H](ON1C(C)(C)CCCC1(C)C)C=O
Systematic name (3):
(2S,3S)-2-[(2,2,6,6-テトラメチルピペリジノ)オキシ]-3-(4-メトキシフェニル)-4-ニトロブタナール
(2S,3S)-3-(4-メトキシフェニル)-4-ニトロ-2-[(2,2,6,6-テトラメチルピペリジン-1-イル)オキシ]ブタナール
(2S,3S)-3-(4-methoxyphenyl)-4-nitro-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]butanal
Other name (1):
(2S,3S)-2-[(2,2,6,6-Tetramethylpiperidino)oxy]-3-(4-methoxyphenyl)-4-nitrobutanal
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