Compound Identification
SMILES
COC(=O)C1=C(NC2=CC=C(Br)C=C2)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIKey
InChIKey=OVSBOXNWKZOLFZ-UHFFFAOYSA-N
Formula
C21H20BrNO10
Mass
526.292
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
Pentacarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pentacarboxylic acids and derivatives
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Enoate esters Enamines Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Pentacarboxylic acid or derivatives - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Carboxylic acid ester - Enamine - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
External Descriptors
Not available