Chem
J-GLOBAL ID：200907096999526079
Nikkaji number：J905.586J
1-(4-Nitro-1H-pyrrol-3-yl)ethanone
1-(4-ニトロ-1H-ピロール-3-イル)エタノン
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： C6H6N[N+]O2[O-]
Molecular formula furigana： C6-H6-N2-O3
Molecular weight： 154.125
InChI：
InChI=1S/C6H6N2O3/c1-4(9)5-2-7-3-6(5)8(10)11/h2-3,7H,1H3
InChI key：
CKDHKICODUBLFB-UHFFFAOYSA-N
SMILES：
CC(=O)c1c[nH]cc1[N+](=O)[O-]
Systematic name (3)：
- 1-(4-ニトロ-1H-ピロール-3-イル)エタノン
- 1-(4-ニトロ-1H-ピロール-3-イル)エタン-1-オン
- 1-(4-nitro-1H-pyrrol-3-yl)ethan-1-one
- 1-(4-Nitro-1H-pyrrol-3-yl)ethanone
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