Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(N\N=C\C2=CC(Cl)=C(OCC3=CC=C(Cl)C=C3)C(Br)=C2)C=C1
InChIKey
InChIKey=HECQSXXXKWTKCQ-PGGKNCGUSA-N
Formula
C19H13BrCl2N4O3
Mass
496.14
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
Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Bromobenzenes Chlorobenzenes Pyridines and derivatives Imidolactams Aryl chlorides Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Imidolactam - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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