Chem
J-GLOBAL ID:200907000249102474
Nikkaji number:J1.071.238F
[Hydroxy(1-methyl-4-nitro-1H-imidazole-5-yl)methylene]malonic acid diethyl ester
[ヒドロキシ(1-メチル-4-ニトロ-1H-イミダゾール-5-イル)メチレン]マロン酸ジエチル
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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:
C12 H15 N2 [N+]O6 [O-]
Molecular formula furigana:
C12-H15-N3-O7
Molecular weight:
313.266
InChI:
InChI=1S/C12H15N3O7/c1-4-21-11(17)7(12(18)22-5-2)9(16)8-10(15(19)20)13-6-14(8)3/h6,16H,4-5H2,1-3H3
InChI key:
ZZQCEZSCGVVABC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(O)c1c(ncn1C)[N+](=O)[O-])C(=O)OCC
Systematic name (3):
[ヒドロキシ(1-メチル-4-ニトロ-1H-イミダゾール-5-イル)メチレン]マロン酸ジエチル
1,3-ジエチル 2-[ヒドロキシ(1-メチル-4-ニトロ-1H-イミダゾール-5-イル)メチリデン]プロパンジオアート
1,3-diethyl 2-[hydroxy(1-methyl-4-nitro-1H-imidazol-5-yl)methylidene]propanedioate
Other name (1):
[Hydroxy(1-methyl-4-nitro-1H-imidazole-5-yl)methylene]malonic acid diethyl ester
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