Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)OCCC1CCCCN1C1=NS(=O)(=O)C2=CC=CC=C12)[N+]([O-])=O
InChIKey
InChIKey=OZEOXSLYMDLCBD-UHFFFAOYSA-N
Formula
C22H23N3O6S
Mass
457.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Nitrobenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Benzothiazoles Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Imidolactams Piperidines Organosulfonic acids and derivatives Carboxylic acid esters Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Amines Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - 1,2-benzothiazole - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Piperidine - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Organic oxoazanium - Azacycle - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available