Compound Identification
SMILES
COC1=C(C=C(C)C(NC2=C(CCCl)C(C)=C(C#N)C3=NC4=CC=CC=C4N23)=C1)[N+]([O-])=O
InChIKey
InChIKey=JRZMCGUCZBJILB-UHFFFAOYSA-N
Formula
C23H20ClN5O3
Mass
449.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Benzimidazoles Imidazo[1,2-a]pyridines Methoxyanilines Nitrotoluenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aminopyridines and derivatives Methylpyridines N-substituted imidazoles Heteroaromatic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Imidazo[1,2-a]pyridine - Benzimidazole - Methoxyaniline - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyridine - Methylpyridine - Toluene - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Azacycle - Ether - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl chloride - Organic oxide - Alkyl halide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available