Compound Identification
SMILES
CN(CC(O)COC1=CC=C(C=C1)[N+]([O-])=O)CC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=XJNCSUBFSFBZRH-UHFFFAOYSA-N
Formula
C18H20N4O4
Mass
356.382
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
Benzimidazoles Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Imidazoles Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Secondary alcohols Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzimidazole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Azole - Heteroaromatic compound - Imidazole - 1,2-aminoalcohol - Organic nitro compound - C-nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - 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