Compound Identification
SMILES
COC(=O)C1=C[C@H](OCC#N)[C@@H](NC(C)=O)[C@@H](O1)[C@@H](OC(C)=O)[C@@H](CN=[N+]=[N-])OC(C)=O
InChIKey
InChIKey=KIERJSQLQOPKEU-BYHHXJKWSA-N
Formula
C18H23N5O9
Mass
453.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Methyl esters Enoate esters Acetamides Secondary carboxylic acid amides Azo imides Azo compounds Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tricarboxylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acetamide - Carboxamide group - Azo imide - Azo compound - Carboxylic acid ester - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available