Compound Identification
SMILES
CN1C(COC2=C(C)C=C(C)C=C2)=NN=C1SCC(=O)NC1=C(Cl)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=HGCPYSDTRFNSOG-UHFFFAOYSA-N
Formula
C20H20ClN5O4S
Mass
461.92
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
Anilides m-Xylenes N-arylamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - N-arylamide - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic zwitterion - 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