Chem
J-GLOBAL ID：200907077519177415
Nikkaji number：J414.043E
3-Methoxy-5-nitro-1,2-benzisothiazole
3-メトキシ-5-ニトロ-1,2-ベンゾチアゾール
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： C8H6N[N+]O2[O-]S
Molecular formula furigana： C8-H6-N2-O3-S
Molecular weight： 210.210
InChI：
InChI=1S/C8H6N2O3S/c1-13-8-6-4-5(10(11)12)2-3-7(6)14-9-8/h2-4H,1H3
InChI key：
LMEVWYJONLGKSE-UHFFFAOYSA-N
SMILES：
COc1nsc2ccc(cc12)[N+](=O)[O-]
Systematic name (3)：
- 3-メトキシ-5-ニトロ-1,2-ベンゾイソチアゾール
- 3-メトキシ-5-ニトロ-1,2-ベンゾチアゾール
- 3-methoxy-5-nitro-1,2-benzothiazole
- 3-Methoxy-5-nitro-1,2-benzisothiazole
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