Compound Identification
SMILES
CC1(C)OC(=O)C(=C2NC(C#N)=C(N2)C#N)C(=O)O1
InChIKey
InChIKey=ACJAPWYOJXYUMI-UHFFFAOYSA-N
Formula
C11H8N4O4
Mass
260.209
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
- Class Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
Dicarboxylic acids and derivatives 1,3-dioxanes Vinylogous amides Imidazolines Enoate esters Lactones Ketene acetals Oxacyclic compounds Nitriles Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Ketal - Meta-dioxane - Dicarboxylic acid or derivatives - 4-imidazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Lactone - Carboxylic acid derivative - Enamine - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Cyanide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
External Descriptors
Not available