Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(C)C=C2)C(I)=CC(=C1)C(N)=O
InChIKey
InChIKey=RNYKCNLBSJQQKO-UHFFFAOYSA-N
Formula
C17H18INO3
Mass
411.239
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Iodobenzenes Alkyl aryl ethers Aryl iodides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organonitrogen 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