Compound Identification
SMILES
ClC1=CC=C(C=C1)C1CC(=O)N=C2N=C(NC(=O)C3=CC(Cl)=CC=C3)NN12
InChIKey
InChIKey=DFBUBATUTSSZHW-UHFFFAOYSA-N
Formula
C18H13Cl2N5O2
Mass
402.24
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
3-halobenzoic acids and derivatives
Alternative Parents
Triazolopyrimidines Benzoyl derivatives Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Triazolines N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Triazolopyrimidine - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Triazoline - Guanidine - N-acylimine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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