Compound Identification
SMILES
CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2
InChIKey
InChIKey=ZRQZDMMLCDCMPC-UHFFFAOYSA-N
Formula
C12H19N4O3
Mass
267.308
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
-
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
Alpha-diazo esters N-alkylpiperazines Fatty acid esters Alpha-diazo ketones Tetraalkylammonium salts Alpha-amino ketones Trialkylamines Amino acids and derivatives Diazo compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Alpha-diazo ester - N-alkylpiperazine - 1,4-diazinane - Piperazine - Fatty acyl - Alpha-diazo ketone - Alpha-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Diazo compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Carbonyl group - Organic cation - Aliphatic 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