Compound Identification
SMILES
[O-]C1=NC(S)=C(C#N)C(C1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=NJMGOOIYUKNCMU-UHFFFAOYSA-M
Formula
C12H8N3O3S
Mass
274.27
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 Dihydropyridines Cyclic carboximidic acids Ketene acetals Organic oxoazanium compounds Nitriles Azacyclic compounds Alkylthiols Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - Cyclic carboximidic acid - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Alkylthiol - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Cyanide - 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