Chem
J-GLOBAL ID：200907023895629448   Nikkaji number：J953.096G

(3S)-3β-(2-Oxopyrrolizino)-3aα,5-dimethyl-4-oxo-2,3,3a,4-tetrahydropyrazolo[1,5-b]isoxazole 6-oxide

(3S)-3β-(2-オキソピロリジノ)-3aα,5-ジメチル-4-オキソ-2,3,3a,4-テトラヒドロピラゾロ[1,5-b]イソオキサゾール6-オキシド
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： C11H15N2[N+]O3[O-]
Molecular formula furigana： C11-H15-N3-O4
Molecular weight： 253.258
InChI： InChI=1S/C11H15N3O4/c1-7-10(16)11(2)8(6-18-14(11)13(7)17)12-5-3-4-9(12)15/h8H,3-6H2,1-2H3/t8-,11+/m1/s1
InChI key： RXKDNVSMVHIJCU-KCJUWKMLSA-N
SMILES： CC1=[N+]([O-])N2OC[C@@H](N3CCCC3=O)[C@@]2(C)C1=O
Systematic name  (3)：
  • (3S)-3β-(2-オキソピロリジノ)-3aα,5-ジメチル-4-オキソ-2,3,3a,4-テトラヒドロピラゾロ[1,5-b]イソオキサゾール6-オキシド
  • (3S,3aS)-3a,5-ジメチル-4-オキソ-3-(2-オキソピロリジン-1-イル)-2H,3H,3aH,4H-ピラゾロ[1,5-b][1,2]オキサゾール-6-イウム-6-オラート
  • (3S,3aS)-3a,5-dimethyl-4-oxo-3-(2-oxopyrrolidin-1-yl)-2H,3H,3aH,4H-pyrazolo[1,5-b][1,2]oxazol-6-ium-6-olate
Other name (1)：
  • (3S)-3β-(2-Oxopyrrolizino)-3aα,5-dimethyl-4-oxo-2,3,3a,4-tetrahydropyrazolo[1,5-b]isoxazole 6-oxide
Thsaurus map：
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