Compound Identification
SMILES
CCC(NNC(=O)C1=CC=CC=C1I)=C1C=CC(=O)C=C1
InChIKey
InChIKey=FHKXWSLUMHZZPW-UHFFFAOYSA-N
Formula
C16H15IN2O2
Mass
394.212
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
2-halobenzoic acids and derivatives
Alternative Parents
P-quinomethanes Benzoyl derivatives Iodobenzenes Vinylogous halides Enones Acryloyl compounds Vinyl iodides Iodoalkenes Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Quinomethane - P-quinomethane - Benzoyl - Iodobenzene - Halobenzene - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Cyclic ketone - Ketone - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available