Compound Identification
SMILES
CCCC(C(=O)OC)C(=O)C(C)C1=NC2=NN=C(N)N2C1=O
InChIKey
InChIKey=XEILZFBCTNMVQV-UHFFFAOYSA-N
Formula
C13H17N5O4
Mass
307.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters 1,3-dicarbonyl compounds Triazoles Methyl esters Heteroaromatic compounds Lactams Ketones Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Imine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available