Compound Identification
SMILES
FC1=C(C=C(C=C1)C(=O)OCC1=CC=C(Br)C=C1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=NVTRRZCVPJGDIZ-UHFFFAOYSA-N
Formula
C18H17BrFNO5S
Mass
458.3
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 Benzyloxycarbonyls Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Fluorobenzenes Morpholines Aryl bromides Organosulfonamides Aryl fluorides Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organobromides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Organosulfonic acid amide - Oxazinane - Morpholine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organobromide - 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