Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=VAUHCAKVHWPLHK-UHFFFAOYSA-N
Formula
C10H5ClN4O5S
Mass
328.68
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 Nitrothiazoles 2,5-disubstituted thiazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxide - 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