Chem
J-GLOBAL ID：200907055409159469
Nikkaji number：J1.342.840I
[[(R)-2,2-Bis(trifluoromethyl)-5-oxo-1,3-dioxolane-4α-yl]methyl]carbamic acid 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzyl ester
[[(R)-2,2-ビス(トリフルオロメチル)-5-オキソ-1,3-ジオキソラン-4α-イル]メチル]カルバミド酸2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンジル
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： C17H12F9N3O6
Molecular formula furigana： C17-H12-F9-N3-O6
Molecular weight： 525.284
InChI：
InChI=1S/C17H12F9N3O6/c1-32-9-4-8(13(28-29-13)15(18,19)20)3-2-7(9)6-33-12(31)27-5-10-11(30)35-14(34-10,16(21,22)23)17(24,25)26/h2-4,10H,5-6H2,1H3,(H,27,31)/t10-/m1/s1
InChI key：
KRBHSFZYYKGRHJ-SNVBAGLBSA-N
SMILES：
COc1cc(ccc1COC(=O)NC[C@H]1OC(OC1=O)(C(F)(F)F)C(F)(F)F)C1(N=N1)C(F)(F)F
Systematic name (3)：
- [[(R)-2,2-ビス(トリフルオロメチル)-5-オキソ-1,3-ジオキソラン-4α-イル]メチル]カルバミド酸2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンジル
- {2-メトキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}メチル N-{[(4R)-5-オキソ-2,2-ビス(トリフルオロメチル)-1,3-ジオキソラン-4-イル]メチル}カルバマート
- {2-methoxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methyl N-{[(4R)-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl}carbamate
- [[(R)-2,2-Bis(trifluoromethyl)-5-oxo-1,3-dioxolane-4α-yl]methyl]carbamic acid 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzyl ester
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