Compound Identification
SMILES
CC1=CC(CN2CCN(CC(O)COC3=CC=C(C=C3)[N+]([O-])=O)CC2)=CC=C1
InChIKey
InChIKey=XQZRAPUGWGAOTB-UHFFFAOYSA-N
Formula
C21H27N3O4
Mass
385.464
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
Benzylamines Nitroaromatic compounds Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers N-alkylpiperazines Toluenes 1,2-aminoalcohols Secondary alcohols Trialkylamines Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - N-alkylpiperazine - 1,4-diazinane - Piperazine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic salt - Alcohol - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - 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