Chem
J-GLOBAL ID：201007000457527722
Nikkaji number：J2.859.634K
3-Oxo-1-cyclohexene-1-carboxylic acid 4-nitrophenyl ester
3-オキソ-1-シクロヘキセン-1-カルボン酸4-ニトロフェニル
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： C13H11[N+]O4[O-]
Molecular formula furigana： C13-H11-N-O5
Molecular weight： 261.233
InChI：
InChI=1S/C13H11NO5/c15-11-3-1-2-9(8-11)13(16)19-12-6-4-10(5-7-12)14(17)18/h4-8H,1-3H2
InChI key：
NQKUOZJJGWRBAI-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc(OC(=O)C2=CC(=O)CCC2)cc1
Systematic name (3)：
- 3-オキソ-1-シクロヘキセン-1-カルボン酸4-ニトロフェニル
- 4-ニトロフェニル 3-オキソシクロヘキサ-1-エン-1-カルボキシラート
- 4-nitrophenyl 3-oxocyclohex-1-ene-1-carboxylate
- 3-Oxo-1-cyclohexene-1-carboxylic acid 4-nitrophenyl ester
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