Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+]([O-])=O)C#N)=C(Cl)C=C1
InChIKey
InChIKey=HUDAYQJOAPYHLN-UHFFFAOYSA-N
Formula
C20H19ClN4O7S
Mass
494.9
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 Benzenesulfonamides Anilides Benzenesulfonyl compounds Nitrobenzenes Benzonitriles Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Organosulfonamides Aminosulfonyl compounds Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Nitrobenzene - Benzenesulfonyl group - Anilide - Nitroaromatic compound - N-arylamide - Benzonitrile - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous halide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxide - Cyanide - Organohalogen compound - Organic salt - Organic oxygen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic cation - 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