Compound Identification
SMILES
NC(=[NH+]OC(=O)COC1=C(Br)C2=CC=CC=C2C=C1)C1=CC=NC=C1
InChIKey
InChIKey=ZTJBRHAJQYFTPE-UHFFFAOYSA-O
Formula
C18H15BrN3O3
Mass
401.239
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
Naphthalenes Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Naphthalene - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Carboximidamide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - 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