Compound Identification
SMILES
CC1=C(OCC2=CC=CC=C2)C(=C(C=C1)C(=O)NCCCCCC([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=AJUYTJMRFKEKNJ-UHFFFAOYSA-M
Formula
C21H23N2O6
Mass
399.424
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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
p-Toluamides Benzamides Nitrotoluenes Nitro fatty acids Phenoxy compounds Phenol ethers Benzoyl derivatives Medium-chain fatty acids Nitroaromatic compounds Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid salts Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Nitro fatty acid - Nitrotoluene - Toluamide - P-toluamide - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Medium-chain fatty acid - Nitroaromatic compound - Phenoxy compound - Toluene - Alkyl aryl ether - Fatty acyl - Fatty acid - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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