Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)NC1=CC2=C(OC(=N2)C2=C(Br)C=CC(I)=C2)C=C1
InChIKey
InChIKey=IHXJBEIJNZPWLS-UHFFFAOYSA-N
Formula
C20H11BrClIN2O2
Mass
553.58
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 Benzoyl derivatives Iodobenzenes Chlorobenzenes Bromobenzenes N-acyl amines Oxazoles Heteroaromatic compounds Vinyl iodides Vinyl chlorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Iodoalkenes Chloroalkenes Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - Bromobenzene - N-acyl-amine - Heteroaromatic compound - Oxazole - Azole - Carboxamide group - Oxacycle - Azacycle - Iodoalkene - Chloroalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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