Compound Identification
SMILES
CC1=C(Cl)C=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XQZCMVAPRJWLSX-UHFFFAOYSA-N
Formula
C19H13ClN4O2S
Mass
396.85
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
Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Enamines Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Enamine - Azacycle - Organic oxoazanium - Carbonitrile - Nitrile - Organic zwitterion - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic salt - 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