Compound Identification
SMILES
COC(=O)CSC1=N\C(NN1)=C1/C=CC(=O)C(=C1)N(O)[O-]
InChIKey
InChIKey=STRDTSWALSZGJQ-POHAHGRESA-N
Formula
C11H11N4O5S
Mass
311.29
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
Triazolines Methyl esters Ketene acetals Sulfenyl compounds N-organohydroxylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-quinomethane - Triazoline - Methyl ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Organoheterocyclic compound - N-organohydroxylamine - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic anion - Aliphatic heteromonocyclic 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