Compound Identification
SMILES
CC1=CC(NC(=O)CCC(=O)NNC(=O)C2=CC(I)=C(C)C=C2)=C(C)C=C1
InChIKey
InChIKey=HWTPTVVQITUDLB-UHFFFAOYSA-N
Formula
C20H22IN3O3
Mass
479.318
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
3-halobenzoic acids and derivatives
Alternative Parents
p-Toluamides Anilides p-Xylenes N-arylamides Benzoyl derivatives Iodobenzenes Fatty amides Aryl iodides Secondary carboxylic acid amides Carboxylic acid hydrazides Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Anilide - Benzoyl - P-xylene - Xylene - N-arylamide - Halobenzene - Toluene - Iodobenzene - Aryl halide - Aryl iodide - Fatty amide - Fatty acyl - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available