Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC=C(C=NNC3=C(C=C(C=C3)S(N)(=O)=O)[N+]([O-])=O)C=C2)C=C1
InChIKey
InChIKey=MWINDRYPKXFGKP-UHFFFAOYSA-N
Formula
C22H20N4O7S
Mass
484.48
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
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Phenylhydrazines Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Organosulfonamides Methyl esters Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Hydrazone - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic salt - 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