Compound Identification
SMILES
COC(=O)C(C#N)=C(N=[N+]=[N-])N=[N+]=[N-]
InChIKey
InChIKey=SCDAIFLSRKZZPS-UHFFFAOYSA-N
Formula
C5H3N7O2
Mass
193.126
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
-
Level 5
Carboxylic acid esters
-
Level 6
Alpha,beta-unsaturated carboxylic esters
- Level 7 Enoate esters
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Level 6
Alpha,beta-unsaturated carboxylic esters
-
Level 5
Carboxylic acid esters
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent
Enoate esters
Alternative Parents
Methyl esters Organoazides Organic azides Ketene acetals Azo imides Azo compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Methyl ester - Enoate ester - Azo compound - Azo imide - Ketene acetal or derivatives - Organoazide - Organic azide - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Cyanide - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
External Descriptors
Not available