Compound Identification
SMILES
[O-][N+](=O)OC(=O)C#C
InChIKey
InChIKey=OVSUBXUTCSBEJN-UHFFFAOYSA-N
Formula
C3HNO4
Mass
115.044
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organic oxoanionic compounds
-
Subclass
Organic nitrates
- Level 5 Acyl nitrates
-
Subclass
Organic nitrates
-
Class
Organic oxoanionic compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organic oxoanionic compounds
Subclass
Organic nitrates
Intermediate Tree Nodes
Not available
Direct Parent
Acyl nitrates
Alternative Parents
Organic nitro compounds Organic nitric acids and derivatives Monocarboxylic acids and derivatives Acetylides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl nitrate - Organic nitric acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Acetylide - Organooxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as acyl nitrates. These are organic compounds containing a nitrate that is O-linked to an acyl group.
External Descriptors
Not available