Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)[C@H]1NNC(S1)=C1C=CC=CC1=O
InChIKey
InChIKey=BBPNQXQMIXRQDR-ZDUSSCGKSA-N
Formula
C14H11N3O3S
Mass
301.32
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
O-quinomethanes Nitroaromatic compounds Vinylogous thioesters Vinylogous amides Thiadiazolidines Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkylhydrazines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - O-quinomethane - Quinomethane - Vinylogous thioester - Thiadiazolidine - Vinylogous amide - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Alkylhydrazine - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrazine derivative - Organic salt - Hydrocarbon derivative - Organic zwitterion - 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