Chem
J-GLOBAL ID:200907050744197004   Nikkaji number:J2.077.543B

2-[2-(2-Nitrophenyl)-3β-(4-methoxyphenyl)oxirane-2α-yl]-4,4-dimethyl-2-oxazoline

2-[2-(2-ニトロフェニル)-3β-(4-メトキシフェニル)オキシラン-2α-イル]-4,4-ジメチル-2-オキサゾリン
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: C20H20N[N+]O4[O-]
Molecular formula furigana: C20-H20-N2-O5
Molecular weight: 368.389
InChI: InChI=1S/C20H20N2O5/c1-19(2)12-26-18(21-19)20(15-6-4-5-7-16(15)22(23)24)17(27-20)13-8-10-14(25-3)11-9-13/h4-11,17H,12H2,1-3H3/t17-,20+/m1/s1
InChI key: FYLKFXZEKRFAQS-XLIONFOSSA-N
SMILES: COc1ccc(cc1)[C@H]1O[C@@]1(C1=NC(C)(C)CO1)c1ccccc1[N+](=O)[O-]
Systematic name  (3):
  • 2-[2-(2-ニトロフェニル)-3β-(4-メトキシフェニル)オキシラン-2α-イル]-4,4-ジメチル-2-オキサゾリン
  • 2-[(2S,3R)-3-(4-メトキシフェニル)-2-(2-ニトロフェニル)オキシラン-2-イル]-4,4-ジメチル-4,5-ジヒドロ-1,3-オキサゾール
  • 2-[(2S,3R)-3-(4-methoxyphenyl)-2-(2-nitrophenyl)oxiran-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Other name (1):
  • 2-[2-(2-Nitrophenyl)-3β-(4-methoxyphenyl)oxirane-2α-yl]-4,4-dimethyl-2-oxazoline
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