Compound Identification
SMILES
[O-][N+](=O)C1=C(NC(=O)COC(=O)C2=C(F)C=CC(=C2)S(=O)(=O)N2CCOCC2)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=LGYNTFXBFIORAK-UHFFFAOYSA-N
Formula
C20H17F4N3O8S
Mass
535.42
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
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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 Trifluoromethylbenzenes Benzenesulfonamides Anilides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Fluorobenzenes Organosulfonamides Aryl fluorides Morpholines Vinylogous halides Sulfonyls Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxoazanium compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic salts Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Trifluoromethylbenzene - Benzoate ester - Benzenesulfonyl group - Anilide - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Morpholine - Organosulfonic acid amide - Oxazinane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Organohalogen compound - Organic zwitterion - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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