Compound Identification
SMILES
NC1=CC(OC(=O)C2=CC=C(Cl)C=C2)=NN1S(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MJBIAPDHPMONDJ-UHFFFAOYSA-N
Formula
C16H11BrClN3O4S
Mass
456.7
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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 Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Heteroaromatic compounds Sulfonyls Organosulfonic acids and derivatives Pyrazoles Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Primary amines Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Halobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Organic sulfonic acid or derivatives - Pyrazole - Azole - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - 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