Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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