Compound Identification
SMILES
NC1=CC(N)=NC(SCC(=O)NC2=NC=C(S2)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=YUGFPACWSALCPH-UHFFFAOYSA-N
Formula
C15H13N7O5S3
Mass
467.49
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
Benzenesulfonyl compounds N-arylamides Nitroaromatic compounds Aminopyrimidines and derivatives Alkylarylthioethers 2,5-disubstituted thiazoles Imidolactams Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Primary amines Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Nitrobenzene - Aryl thioether - Nitroaromatic compound - N-arylamide - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Thiazole - Sulfone - Sulfonyl - C-nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Amine - 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