Compound Identification
SMILES
CC(O)CNC1=C(C=C(C(N2CCN(CC2)C2=C(C=C(C=C2)C(F)(F)F)[N+]([O-])=O)=C1C)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=JIIQRXOSGXAWLQ-UHFFFAOYSA-N
Formula
C21H23F3N6O7
Mass
528.445
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Dinitroanilines N-arylpiperazines Phenylpiperazines Trifluoromethylbenzenes Nitrobenzenes Aminotoluenes Dialkylarylamines Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines 1,2-aminoalcohols Secondary alcohols Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Dinitrotoluene - Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - 1,4-diazinane - Piperazine - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Amine - Organic zwitterion - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors
Not available