Compound Identification
SMILES
C1N2CN3CN1CN(C2)C3.CCOC(=O)COC1=C(CCl)C=C(Br)C=C1
InChIKey
InChIKey=PQMLSJUSTYTFFX-UHFFFAOYSA-N
Formula
C17H24BrClN4O3
Mass
447.76
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
Phenoxy compounds Phenol ethers Benzyl chlorides Bromobenzenes Alkyl aryl ethers Aryl bromides 1,3,5-triazinanes Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Aminals Organopnictogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Not available
Substituents
Phenoxyacetate - Phenoxy compound - Benzyl halide - Benzyl chloride - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Triazinane - Aryl halide - Aryl bromide - 1,3,5-triazinane - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Aminal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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