Compound Identification
SMILES
[Na+].OC1=C(N\N=C2/C(=O)C=C(C3=C2C=CC=C3[N+]([O-])=O)S([O-])(=O)=O)C=CC2=CC=CC=C12
InChIKey
InChIKey=BRNZPCZHVVYLOI-GXTSIBQPSA-M
Formula
C20H12N3NaO7S
Mass
461.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Naphthols and derivatives Phenylhydrazines Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-nitronaphthalene - 1-naphthol - Nitroaromatic compound - Phenylhydrazine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Hydrazone - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available