Chem
J-GLOBAL ID：200907068679513684
Nikkaji number：J1.102.019D
3,5-Dimethyl-4-nitrobenzoic acid methyl ester
3,5-ジメチル-4-ニトロ安息香酸メチル
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： C10H11[N+]O3[O-]
Molecular formula furigana： C10-H11-N-O4
Molecular weight： 209.201
InChI：
InChI=1S/C10H11NO4/c1-6-4-8(10(12)15-3)5-7(2)9(6)11(13)14/h4-5H,1-3H3
InChI key：
IQUHJQRBKOPNQC-UHFFFAOYSA-N
SMILES：
COC(=O)c1cc(C)c(c(C)c1)[N+](=O)[O-]
Systematic name (3)：
- 3,5-ジメチル-4-ニトロ安息香酸メチル
- メチル 3,5-ジメチル-4-ニトロベンゾアート
- methyl 3,5-dimethyl-4-nitrobenzoate
- 3,5-Dimethyl-4-nitrobenzoic acid methyl ester
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