Compound Identification
SMILES
CC1(C)N=C(C(Cl)=[N+]([O-])C(=O)C2=CC=C(Cl)C=C2)C(C)(C)N1O
InChIKey
InChIKey=TWGZYKHEQAMYIM-UHFFFAOYSA-N
Formula
C15H17Cl2N3O3
Mass
358.22
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
Benzoyl derivatives Chlorobenzenes Aryl chlorides Imidazolines Imidoyl chlorides Ketimines Nitrones N-organohydroxylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 3-imidazoline - Nitrone - Ketimine - Imidoyl chloride - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - N-organohydroxylamine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Imine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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