Compound Identification
SMILES
C[N+]1=CN(C=C1)C1=NC(N2C=C[N+](C)=C2)=C(Cl)C(NC2=CC=C(C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=MKPHBYHFFHVZOW-UHFFFAOYSA-N
Formula
C18H17ClN8O2
Mass
412.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary amine - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organonitrogen compound - Organic salt - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic cation - 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