Compound Identification
SMILES
CCCSC1=NC(C)=CC(OCC(=NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2=CC(=CC=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=FXARXRZFHNCLGL-UHFFFAOYSA-N
Formula
C23H22N6O6S
Mass
510.53
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzoic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Ether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Organic oxygen 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