Chem
J-GLOBAL ID：200907072361595883
Nikkaji number：J1.411.777F
3-Nitro-4-(methylamino)benzonitrile
3-ニトロ-4-(メチルアミノ)ベンゾニトリル
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： C8H7N2[N+]O[O-]
Molecular formula furigana： C8-H7-N3-O2
Molecular weight： 177.163
InChI：
InChI=1S/C8H7N3O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,1H3
InChI key：
KTWMUUHEGDUZCG-UHFFFAOYSA-N
SMILES：
CNc1ccc(cc1[N+](=O)[O-])C#N
Systematic name (3)：
- 3-ニトロ-4-(メチルアミノ)ベンゾニトリル
- 4-(メチルアミノ)-3-ニトロベンゾニトリル
- 4-(methylamino)-3-nitrobenzonitrile
- 3-Nitro-4-(methylamino)benzonitrile
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