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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
1,3-dicarbonyl compounds
- Level 6 Beta-diketones
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Level 5
1,3-dicarbonyl compounds
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Alpha-keto acids and derivatives Triazoles Methyl esters Heteroaromatic compounds Lactams Ketimines Cyclic ketones 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
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