Compound Identification
SMILES
CCN1C(SCC2=CC=C(C=C2)[N+]([O-])=O)=NN=C1C(NC(=O)C1=CC=CC=C1Cl)C(C)C
InChIKey
InChIKey=CKLYRPQFSVGNSO-UHFFFAOYSA-N
Formula
C22H24ClN5O3S
Mass
473.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - 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 - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available