Compound Identification
SMILES
CC(C)OC(=O)C1=CC(NC(N)=O)=C(Cl)C=C1Br
InChIKey
InChIKey=QNTFQLIFUREQQX-UHFFFAOYSA-N
Formula
C11H12BrClN2O3
Mass
335.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives N-phenylureas Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Vinylogous halides Ureas Carboxylic acid esters Organochlorides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylurea - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl chloride - Vinylogous halide - Urea - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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