Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC=CC=C2C=NNS(=O)(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=UCBWWUVVBXRENQ-UHFFFAOYSA-N
Formula
C23H21N3O7S
Mass
483.5
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 Nitrotoluenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Sulfonohydrazides Hydrazinosulfonyl compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Nitrobenzene - Nitrotoluene - Benzenesulfonyl group - Nitroaromatic compound - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Hydrazinosulfonyl compound - Sulfonohydrazide - Organic sulfonic acid or derivatives - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - 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