Compound Identification
SMILES
CC1=NN=C(NC(=O)CSC2=NN=C(NC(=O)C3=C(C)C(=CC=C3)[N+]([O-])=O)S2)S1
InChIKey
InChIKey=XFXAUDMFUWYRMG-UHFFFAOYSA-N
Formula
C15H13N7O4S3
Mass
451.49
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
o-Toluamides Benzamides Nitrotoluenes Nitroaromatic compounds N-arylamides Benzoyl derivatives Alkylarylthioethers Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - O-toluamide - Aryl thioether - Benzoyl - Nitroaromatic compound - N-arylamide - Alkylarylthioether - Toluene - Heteroaromatic compound - Azole - Thiadiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - 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