Compound Identification
SMILES
CC1=CC=C(CN2CCC(CC2)C2=NC(=CS2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=XTESGJARPFOWFI-UHFFFAOYSA-N
Formula
C20H20ClN3O2S2
Mass
433.97
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
Nitroaromatic compounds 2,4-disubstituted thiazoles 2,5-disubstituted thiophenes Aralkylamines Chlorobenzenes Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aralkylamine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Thiazole - Thiophene - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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