Compound Identification
SMILES
NC1=C2C(=O)C=C(C=C2C=C(\C1=N\NC1=CC=C(C=C1)[N+]([O-])=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=PQWQSQCQMZUPSN-MNDPQUGUSA-N
Formula
C16H12N4O9S2
Mass
468.41
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 Nitroaromatic compounds Vinylogous amides Sulfonyls Organosulfonic acids Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Enamines Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Vinylogous amide - Sulfonyl - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Enamine - Hydrazone - Organic oxoazanium - Organic salt - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic 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