Compound Identification
SMILES
COC1=CC=CC=C1NC1=C(C(OC2=CC=CC3=C2N=C(C)C=C3)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=XXJZIFLKMNPANT-UHFFFAOYSA-N
Formula
C21H17N5O4
Mass
403.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
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Subclass
Ethers
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Quinolines and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Quinoline - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Phenol ether - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Pyrimidine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic salt - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Not available