Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NC1=CC2=C(OC(=N2)C2=C(Br)C=CC(I)=C2)C=C1
InChIKey
InChIKey=PFQKUFGPWARCQD-UHFFFAOYSA-N
Formula
C20H11Br2IN2O2
Mass
598.032
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Bromobenzenes N-acyl amines Oxazoles Heteroaromatic compounds Vinyl iodides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Iodoalkenes Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Iodobenzene - Halobenzene - Bromobenzene - N-acyl-amine - Heteroaromatic compound - Oxazole - Azole - Carboxamide group - Oxacycle - Azacycle - Iodoalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - 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