Compound Identification
SMILES
FC1=CC(C(=O)NN=CC2=CC=C(OCC3=CC=C(Br)C=C3)C=C2)=C(F)C=C1
InChIKey
InChIKey=RDMMTIVECWWQDD-UHFFFAOYSA-N
Formula
C21H15BrF2N2O2
Mass
445.264
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
2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Vinylogous halides Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Vinylogous halide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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