Compound Identification
SMILES
CC(=O)C1=CC(N\N=C2/C(=O)C=C(C3=C2C=CC(=C3)[N+]([O-])=O)S(O)(=O)=O)=C(O)C=C1O
InChIKey
InChIKey=RNLPHZOTPJDQNX-ZZEZOPTASA-N
Formula
C18H13N3O9S
Mass
447.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
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Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Alkyl-phenylketones Acetophenones Resorcinols Phenylhydrazines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Cyclic ketones Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alkyl-phenylketone - 2-nitronaphthalene - Acetophenone - Phenylketone - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Resorcinol - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Cyclic ketone - Ketone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - 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