Compound Identification
SMILES
C[C@H](SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=UJXRFLICBCWTPN-JTQLQIEISA-N
Formula
C16H14Cl2N2O3S
Mass
385.26
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
Thiophenol ethers Dichlorobenzenes Nitroaromatic compounds Alkylarylthioethers Aryl chlorides Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - 1,3-dichlorobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Aryl chloride - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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