Compound Identification
SMILES
BrC1=CC(C=NNC(=O)C2=CC=CC=C2I)=C(OCC#C)C=C1
InChIKey
InChIKey=QWTQMUWZYZUZGC-UHFFFAOYSA-N
Formula
C17H12BrIN2O2
Mass
483.103
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
Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Iodobenzenes Aryl bromides Aryl iodides Vinylogous halides Carboxylic acids and derivatives Acetylides Organobromides Organic oxides Hydrocarbon derivatives Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Vinylogous halide - Acetylide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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