Compound Identification
SMILES
COC1=CC(NC2=NCCN2)=C(Cl)C=C1C(=O)NC(C)C
InChIKey
InChIKey=BWIZQTSDRNDLQA-UHFFFAOYSA-N
Formula
C14H19ClN4O2
Mass
310.78
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
Benzamides Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Imidazolines Secondary carboxylic acid amides Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Methoxyaniline - Benzamide - Phenol ether - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - 2-imidazoline - Carboxamide group - Secondary carboxylic acid amide - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidamide - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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