Compound Identification
SMILES
CC1=CC(C)=C(C)C=C1C1=CSC(NC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=YGUOHVMXLZVGEL-UHFFFAOYSA-N
Formula
C19H16ClN3O3S
Mass
401.87
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available