Compound Identification
SMILES
OC(=O)COC1=C(Cl)C=C(C=NN2C(=O)NC3=CC=CC=C3C2=O)C=C1Br
InChIKey
InChIKey=QPNCXPRLZXZFRO-UHFFFAOYSA-N
Formula
C17H11BrClN3O5
Mass
452.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Quinazolines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Pyrimidone - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available