Compound Identification
SMILES
N\C(S)=C1\C=CC(=O)C=C1[N+]([O-])=O
InChIKey
InChIKey=MOSWUSMTYIHBQU-FNORWQNLSA-N
Formula
C7H6N2O3S
Mass
198.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Ketene acetals C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkylthiols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
P-quinomethane - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Alkylthiol - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available