Compound Identification
SMILES
NC1=NN=C(SCC(=O)NCCCNC2=C(Cl)C=C(C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=GVOYOYQZHWRKMZ-UHFFFAOYSA-N
Formula
C13H15ClN6O3S2
Mass
402.87
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
Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds 2-amino-5-substituted-1,3,4-thiadiazoles Secondary alkylarylamines Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Primary amines Organic zwitterions Organic salts Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - Aryl chloride - 2-amino-1,3,4-thiadiazole - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Organic zwitterion - Organic salt - Organic oxygen compound - 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