Compound Identification
SMILES
C\C(NC1=C(SSC2=C(N)C(C)=CC(=C2)[N+]([O-])=O)C=C(C=C1C)[N+]([O-])=O)=C/C(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=ZXFQYYTZYRKTNK-GZTJUZNOSA-N
Formula
C25H24N4O5S2
Mass
524.61
Taxonomic Classification
Taxonomy Tree
-
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitrotoluenes Aminotoluenes Aniline and substituted anilines Aryl ketones Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Acryloyl compounds Enones Organic disulfides Organic oxoazanium compounds Enamines Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Benzoyl - Aryl ketone - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Toluene - Acryloyl-group - Vinylogous amide - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Organic disulfide - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic 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