Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC2=NC(NN=CC3=CC(=C(Cl)C=C3)[N+]([O-])=O)=NC(NC3=CC=CC=C3)=N2)C=C1
InChIKey
InChIKey=GYALLKFXWWGHRC-UHFFFAOYSA-N
Formula
C22H16ClN9O4
Mass
505.88
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 Nitroaromatic compounds Chlorobenzenes 1,3,5-triazines Aryl chlorides Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Organic nitrogen compound - 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