Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C1CCCC(C2=NC3=NN=C(N)N3C2=O)C1=O

InChIKey

InChIKey=ZXQMQXCGLFKCIR-UHFFFAOYSA-N

Formula

C13H13N5O5

Mass

319.277

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

1,3-dicarbonyl compounds

Direct Parent

Beta-diketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-diketone - Alpha-keto acid - Keto acid - Azole - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Ketone - Cyclic 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 - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.

External Descriptors

Not available

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