Compound Identification
SMILES
O=CCOC(=O)CC#N
InChIKey
InChIKey=BUNDZYABZWRXAG-UHFFFAOYSA-N
Formula
C5H5NO3
Mass
127.099
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha-acyloxy carbonyl compounds
- Level 6 Alpha-acyloxy aldehydes
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Level 5
Alpha-acyloxy carbonyl compounds
-
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
Alpha-acyloxy carbonyl compounds
Direct Parent
Alpha-acyloxy aldehydes
Alternative Parents
Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-acyloxy aldehyde - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aldehyde - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-acyloxy aldehydes. These are aldehydes that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=H, R4=H or organyl; R2,R3 = any atom).
External Descriptors
Not available