Compound Identification
SMILES
CC1=C(C(N=C(N1)SCC1=CC=CC=C1)C1=C(O)C=C(O)C=C1)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=QZKXCRWQSNLJQJ-UHFFFAOYSA-N
Formula
C25H22N4O5S
Mass
490.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Anilides Resorcinols N-arylamides Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydropyrimidines Vinylogous amides Secondary carboxylic acid amides Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Resorcinol - N-arylamide - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Hydropyrimidine - Vinylogous amide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Isothiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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