Compound Identification
SMILES
CC1(CC(=O)NN=CC2=CC(Br)=C(OCC3=CC=CC=C3C#N)C=C2)OCCO1
InChIKey
InChIKey=OKHIGCYEPVFRJH-UHFFFAOYSA-N
Formula
C21H20BrN3O4
Mass
458.312
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Benzonitriles Ketals Bromobenzenes Alkyl aryl ethers Aryl bromides 1,3-dioxolanes Oxacyclic compounds Nitriles Carboxylic acids and derivatives Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Benzonitrile - Phenol ether - Halobenzene - Alkyl aryl ether - Ketal - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Meta-dioxolane - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available