Compound Identification
SMILES
CC1=CC(=C(NC(=O)COC(=O)C2=CC=C(NS(=O)(=O)C3=CC4=C(OCCO4)C=C3)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FEBYSRLOULNSHQ-UHFFFAOYSA-N
Formula
C24H21N3O9S
Mass
527.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
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
Sulfanilides Benzo-1,4-dioxanes Anilides Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkyl aryl ethers Para dioxins Organosulfonamides Aminosulfonyl compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sulfanilide - Benzoate ester - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Anilide - Nitrotoluene - N-arylamide - Benzoyl - Nitroaromatic compound - Alkyl aryl ether - Toluene - Organosulfonic acid amide - Para-dioxin - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic 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