Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C1=NN2C(CNC3=CC=CC=C3Cl)=NN=C2SC1
InChIKey
InChIKey=QNJGUZXZTHGGHM-UHFFFAOYSA-N
Formula
C21H15ClN6O3S
Mass
466.9
Taxonomic Classification
Taxonomy Tree
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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
Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Alkylarylthioethers Chlorobenzenes Aryl chlorides Triazoles Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Organooxygen compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thioether - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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