Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)C1=CN=C(NC(=O)COC(=O)C(=CC2=CC=CS2)C2=CC=CS2)S1
InChIKey
InChIKey=ADKGDRRJKQJAGU-UHFFFAOYSA-N
Formula
C22H15N3O7S4
Mass
561.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzenesulfonyl compounds N-arylamides Nitroaromatic compounds 2,5-disubstituted thiazoles Fatty acid esters Thiophenes Sulfones Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,5-disubstituted 1,3-thiazole - Fatty acid ester - Fatty acyl - Azole - Heteroaromatic compound - Sulfone - Sulfonyl - Thiazole - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic salt - Organosulfur compound - Organic zwitterion - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available