Compound Identification
SMILES
CC(C)C1=CC=[N+](C=C1)C(=C(S)NC1=CC(Cl)=CC=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=UFHIAZBWSFAVNS-UHFFFAOYSA-O
Formula
C23H21ClN3O3S
Mass
454.95
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 Aryl ketones Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Pyridinium derivatives Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Vinylogous amides Acryloyl compounds Heteroaromatic compounds Enones Alkylthiols Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl ketone - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Vinylogous amide - Acryloyl-group - Enone - Organic nitro compound - Ketone - C-nitro compound - Azacycle - Secondary amine - Organoheterocyclic compound - Alkylthiol - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - 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