Compound Identification
SMILES
NCCNC(=O)C1=CC=C(I)C=C1
InChIKey
InChIKey=VMUACFKIZPXVNX-UHFFFAOYSA-N
Formula
C9H11IN2O
Mass
290.104
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
Benzamides Benzoyl derivatives Iodobenzenes Aryl iodides Secondary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organohalogen compound - Primary aliphatic amine - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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