Chem
J-GLOBAL ID：200907062654604113
Nikkaji number：J1.022.417I
2-Formyl-4-methyl-5-[[(2Z)-3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxo-3-pyrroline-2-ylidene]methyl]-1H-pyrrole-3-propionic acid allyl ester
2-ホルミル-4-メチル-5-[[(2Z)-3-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-4-エチル-5-オキソ-3-ピロリン-2-イリデン]メチル]-1H-ピロール-3-プロピオン酸アリル
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： C27H25F3N4O4
Molecular formula furigana： C27-H25-F3-N4-O4
Molecular weight： 526.516
InChI：
InChI=1S/C27H25F3N4O4/c1-4-12-38-23(36)11-10-19-15(3)20(31-22(19)14-35)13-21-24(18(5-2)25(37)32-21)16-6-8-17(9-7-16)26(33-34-26)27(28,29)30/h4,6-9,13-14,31H,1,5,10-12H2,2-3H3,(H,32,37)/b21-13-
InChI key：
CBHYPJIHWYFRAI-BKUYFWCQSA-N
SMILES：
CCC1=C(/C(=C/c2[nH]c(C=O)c(CCC(=O)OCC=C)c2C)/NC1=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name (3)：
- 2-ホルミル-4-メチル-5-[[(2Z)-3-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-4-エチル-5-オキソ-3-ピロリン-2-イリデン]メチル]-1H-ピロール-3-プロピオン酸アリル
- プロパ-2-エン-1-イル 3-(5-{[(2Z)-4-エチル-5-オキソ-3-{4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}-2,5-ジヒドロ-1H-ピロール-2-イリデン]メチル}-2-ホルミル-4-メチル-1H-ピロール-3-イル)プロパノアート
- prop-2-en-1-yl 3-(5-{[(2Z)-4-ethyl-5-oxo-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-2-formyl-4-methyl-1H-pyrrol-3-yl)propanoate
- 2-Formyl-4-methyl-5-[[(2Z)-3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxo-3-pyrroline-2-ylidene]methyl]-1H-pyrrole-3-propionic acid allyl ester
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