Compound Identification
SMILES
COC(=O)C12CC3CC(CC(C3)(C1)O[N+]([O-])=O)C2
InChIKey
InChIKey=DQZGPALSLXMJAS-UHFFFAOYSA-N
Formula
C12H17NO5
Mass
255.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organic oxoanionic compounds
-
Subclass
Organic nitrates
- Level 5 Alkyl 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
Alkyl nitrates
Alternative Parents
Methyl esters Organic nitro compounds Organic nitric acids and derivatives Monocarboxylic acids and derivatives Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Methyl ester - Alkyl nitrate - Carboxylic acid ester - 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 - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.
External Descriptors
Not available