Compound Identification
SMILES
COC(=O)C1=CC(N\N=C/C(/Cl)=C(/Cl)C(O)=O)=C(F)C=C1Br
InChIKey
InChIKey=LBVCKEZKFRWJBS-GZTABTOESA-N
Formula
C12H8BrCl2FN2O4
Mass
414.01
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 Phenylhydrazines Benzoyl derivatives Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Alpha-halocarboxylic acids Methyl esters Vinyl chlorides Monocarboxylic acids and derivatives Carboxylic acids Chloroalkenes Hydrazones Organofluorides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Phenylhydrazine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Methyl ester - Vinylogous halide - Carboxylic acid ester - Vinyl chloride - Carboxylic acid derivative - Vinyl halide - Monocarboxylic acid or derivatives - Hydrazone - Haloalkene - Chloroalkene - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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