Compound Identification
SMILES
CC(C)C1=C(C(NC(=S)N1)C1=CC=C(O)C=C1)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XGRKTEGNYWKTCZ-UHFFFAOYSA-N
Formula
C20H20N4O4S
Mass
412.46
Taxonomic Classification
Taxonomy Tree
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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
Anilides Nitroaromatic compounds N-arylamides Pyrimidinethiones 1-hydroxy-2-unsubstituted benzenoids 2-Thiopyrimidines Hydropyrimidines Vinylogous amides Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Phenol - 2-thiopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidinethione - Thiopyrimidine - Pyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - C-nitro compound - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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