Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)OCCN(C1=NS(=O)(=O)C2=CC=CC=C12)C1=CC=CC=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=ABMGQSCZVIGJOH-UHFFFAOYSA-N
Formula
C23H18ClN3O6S
Mass
499.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Imidolactams Organosulfonic acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Azacyclic compounds Amidines Propargyl-type 1,3-dipolar organic compounds Amines Hydrocarbon derivatives Organic salts Organochlorides Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - 1,2-benzothiazole - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Amidine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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