Compound Identification
SMILES
CC(C)C1=CC=CC=C1NC(=O)CC(C)=NNC(=O)C1=CC=C(I)C=C1
InChIKey
InChIKey=FOWURQGOMAYLAB-UHFFFAOYSA-N
Formula
C20H22IN3O2
Mass
463.319
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
Phenylpropanes Cumenes Anilides N-arylamides Benzoyl derivatives Iodobenzenes Fatty amides Aryl iodides Secondary carboxylic acid amides Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Cumene - Anilide - Phenylpropane - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Fatty acyl - Fatty amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic 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