Compound Identification
SMILES
CC1=C(C)C(=O)N2NC(NC(=O)C3=CC=C(Cl)C=C3)=NC2=N1
InChIKey
InChIKey=GNRSYQZMFBTWJC-UHFFFAOYSA-N
Formula
C14H12ClN5O2
Mass
317.73
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
Triazolopyrimidines Benzamides Benzoyl derivatives Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Triazoles Lactams Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Triazolopyrimidine - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Pyrimidone - Aryl halide - Aryl chloride - Pyrimidine - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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