Compound Identification
SMILES
COC1=C(C=C(\C=N\NC2=NC(=NC(NC3=CC=CC=C3)=N2)N2CCCC2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=LHZYCIWASXAPRQ-HYARGMPZSA-N
Formula
C21H22N8O3
Mass
434.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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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
Methoxyanilines 1,3,5-triazine-2,4-diamines Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers 1,3,5-triazines Pyrrolidines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Pyrrolidine - C-nitro compound - Organic nitro compound - Ether - Hydrazone - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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