Compound Identification
SMILES
CC(C)OC1=C(C=C(C=C1)[N+]([O-])=O)C(=O)NC1=NC2=NC3=CC=CC=C3N2C=C1C#N
InChIKey
InChIKey=ZSJAMKKWJPYYJE-UHFFFAOYSA-N
Formula
C21H16N6O4
Mass
416.397
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
Benzamides Benzimidazoles Imidazo[1,2-a]pyrimidines Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzamide - Benzimidazole - Imidazo[1,2-a]pyrimidine - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - 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