Compound Identification
SMILES
CC1=C(I)C=C(C=C1)C(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1
InChIKey
InChIKey=QZHVHWIJSDFTRH-UHFFFAOYSA-N
Formula
C18H18IN3O3
Mass
451.264
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 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 - N-arylamide - Iodobenzene - Halobenzene - Toluene - Aryl halide - Aryl iodide - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen 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