Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CSC(NC(=O)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=MMLADQCMDMXQEL-UHFFFAOYSA-N
Formula
C17H12ClN3O3S
Mass
373.81
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 Toluenes 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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