Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)C=NC1=NN=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2)S1
InChIKey
InChIKey=NPOQKPYCDMYVAW-UHFFFAOYSA-N
Formula
C14H7Cl2N5O3S2
Mass
428.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
3-halobenzoic acids and derivatives
Alternative Parents
2-nitrothiophenes Benzamides Nitroaromatic compounds Benzoyl derivatives Dichlorobenzenes 2,5-disubstituted thiophenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Shiff bases 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 Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Benzamide - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Shiff base - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Aldimine - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic salt - Organic zwitterion - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available