Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)NC1=CC2=C(OC(N2)=C2C=CC(=O)C(Br)=C2)C=C1
InChIKey
InChIKey=OAWSAJIKUYHZBS-UHFFFAOYSA-N
Formula
C20H12BrFN2O3
Mass
427.229
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoxazolines P-quinomethanes Benzoyl derivatives Fluorobenzenes Aryl fluorides Alpha-haloketones Secondary carboxylic acid amides Ketene acetals Vinyl bromides Bromoalkenes Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds Aldehydes Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoxazoline - Benzoyl - P-quinomethane - Quinomethane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Alpha-haloketone - Carboxamide group - Ketene acetal or derivatives - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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