Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=NC(=O)C(O1)C1=CC=CC=C1
InChIKey
InChIKey=NHJNZBXOWASCNN-UHFFFAOYSA-N
Formula
C20H18ClN3O3
Mass
383.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Piperazines Tertiary carboxylic acid amides Oxazolines Isoureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboximidamides Carbonyl compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Oxazoline - Tertiary carboxylic acid amide - N-acylimine - Carboxamide group - Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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