Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(OCC2=NC3=C(C=C(Cl)C=C3)N2CNC2=CC=NC=C2)C=C1
InChIKey
InChIKey=YFXIGCJBTANSHA-UHFFFAOYSA-N
Formula
C20H16ClN5O3
Mass
409.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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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 Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzimidazole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridine - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - 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