Compound Identification
SMILES
COC1=C(OCC(O)=O)C=C(Br)C(C=NN2C(=O)NC3=CC=CC=C3C2=O)=C1
InChIKey
InChIKey=NDTIJEDPDWPVAI-UHFFFAOYSA-N
Formula
C18H14BrN3O6
Mass
448.229
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 Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Quinazoline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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