Compound Identification
SMILES
CC(C)(C)NCC(O)CSC1=C(C=CC=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=ILOMMVVFUGIWSM-UHFFFAOYSA-N
Formula
C13H19ClN2O3S
Mass
318.82
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 Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides 1,2-aminoalcohols Secondary alcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic salts Organic oxides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Organic salt - Organochloride - Organonitrogen compound - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - 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