Compound Identification
SMILES
CCN(CC)C1=NC(NC2=CC(Cl)=C(C)C=C2)=NC(NN=CC2=CC=C(C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=KTNRWVDYOPNRHN-UHFFFAOYSA-N
Formula
C21H23ClN8O2
Mass
454.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Toluenes Chlorobenzenes N-aliphatic s-triazines 1,3,5-triazines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrazones Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Toluene - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Hydrazone - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organochloride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available