Compound Identification
SMILES
CC1=C(C(=O)N2CCN=C2SCC2=CC=C(C=C2)[N+]([O-])=O)C(=NO1)C1=CC=CC=C1Cl
InChIKey
InChIKey=XARIFJBOTLZUCE-UHFFFAOYSA-N
Formula
C21H17ClN4O4S
Mass
456.9
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
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Imidazolines Isoxazoles Isothioureas Organic oxoazanium compounds Oxacyclic compounds Carboximidamides Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 2-imidazoline - Isoxazole - Organic nitro compound - Isothiourea - C-nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - 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