Compound Identification
SMILES
COC1=C(OCC2=CC=C(C)C=C2)C=C(Br)C(\C=N\NC(=O)C2=CC(Br)=C(O)C(Br)=C2)=C1
InChIKey
InChIKey=VLOURUBEFVHSPO-LUOAPIJWSA-N
Formula
C23H19Br3N2O4
Mass
627.127
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
Phenoxy compounds O-bromophenols Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - 2-halophenol - 2-bromophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Ether - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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