Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=CC(C=NN2CCN(CC2)N=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=BUMHDHHMVGTQLX-UHFFFAOYSA-N
Formula
C18H16Cl2N6O4
Mass
451.26
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
Nitroaromatic compounds Chlorobenzenes Piperazines Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organic nitro compound - C-nitro compound - Azacycle - Hydrazone - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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