Compound Identification
SMILES
CC1=C(C=C(CSC2=CC=CC=C2NC(=O)C(Cl)(Cl)Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=UKVHPOHMMHBVMC-UHFFFAOYSA-N
Formula
C16H13Cl3N2O3S
Mass
419.7
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
Anilides Nitrotoluenes Thiophenol ethers N-arylamides Nitroaromatic compounds Alkylarylthioethers Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl chlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Anilide - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-arylamide - Toluene - Alkylarylthioether - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organic oxoazanium - Alkyl chloride - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - 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