Compound Identification
SMILES
COC(=O)C1=C(C)N(CC2=CC=C(C=C2)C(O)=O)C(=O)NC1C1=CC=C(Br)C=C1
InChIKey
InChIKey=HNIAGNAVBKGWQD-UHFFFAOYSA-N
Formula
C21H19BrN2O5
Mass
459.296
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives Pyrimidones Bromobenzenes Aryl bromides Hydropyrimidines Vinylogous amides Methyl esters Enoate esters Ureas Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Bromobenzene - Pyrimidone - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available