Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)OCN1C=CC(=O)NC1=O
InChIKey
InChIKey=WMDDVTNHGMPFKD-UHFFFAOYSA-N
Formula
C12H9BrN2O4
Mass
325.118
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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 acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzoyl derivatives Pyrimidones Bromobenzenes Aryl bromides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Pyrimidone - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available