Compound Identification
SMILES
COC1=C(C=CC(C=NNC(=O)C2=CC(Cl)=CC=C2)=C1)N(CCCl)CCCl
InChIKey
InChIKey=KHTUMNFNBKXCFV-UHFFFAOYSA-N
Formula
C19H20Cl3N3O2
Mass
428.74
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Nitrogen mustard compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Amino acids and derivatives Hydrocarbon derivatives Organochlorides Alkyl chlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Nitrogen mustard - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organic nitrogen compound - Organic oxygen compound - Amine - Alkyl halide - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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