Compound Identification
SMILES
CC1(C)N=C(C(Cl)=[N+]([O-])C(=O)C2=CC=C(F)C=C2)C(C)(C)N1O
InChIKey
InChIKey=YYYYOPNGIQTWFK-UHFFFAOYSA-N
Formula
C15H17ClFN3O3
Mass
341.77
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 Fluorobenzenes Aryl fluorides Imidazolines Imidoyl chlorides Ketimines Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives N-organohydroxylamines Organochlorides Hydrocarbon derivatives Organofluorides Organic zwitterions Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - 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 - Organofluoride - 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