Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=NN=C(O1)S\C(=N\NC1=CC=CC=C1)C(=O)C1=CC=NC=C1
InChIKey
InChIKey=OXYQRZPVTFOGPB-LKUDQCMESA-N
Formula
C21H14N6O4S
Mass
446.44
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
Phenylhydrazines Aryl ketones Aryl thioethers Nitroaromatic compounds Pyridines and derivatives 1,3,4-oxadiazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylhydrazine - Aryl ketone - Pyridine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Ketone - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic salt - 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