Compound Identification
SMILES
CC1=C(Cl)C=C(CC2=CN=C(NC(=O)C(=C\C3=CC=C(O3)C3=CC(=C(Cl)C=C3)[N+]([O-])=O)\C#N)S2)C=C1
InChIKey
InChIKey=HHNNOWHFGQMUSO-LICLKQGHSA-N
Formula
C25H16Cl2N4O4S
Mass
539.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
N-arylamides Nitroaromatic compounds Toluenes 2,5-disubstituted thiazoles Chlorobenzenes Aryl chlorides Furans Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Azole - Furan - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Carbonitrile - Organic oxoazanium - Nitrile - Azacycle - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - 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