Compound Identification
SMILES
ClC1=CC=CC(Cl)=C1C(=O)N1C=C(C2=C1C=CN=C2)C1=CCN2CCCC2C1
InChIKey
InChIKey=NJGJYYJRKPMKJU-UHFFFAOYSA-N
Formula
C22H19Cl2N3O
Mass
412.31
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
2-halobenzoic acids and derivatives
Alternative Parents
Pyrrolopyridines Dichlorobenzenes Benzoyl derivatives Substituted pyrroles Pyridines and derivatives N-alkylpyrrolidines Aryl chlorides Vinylogous halides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Pyrrolopyridine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available