Compound Identification
SMILES
COCC1=CC(C)=NC(NN=CC2=CC=C(O2)C2=C(OC)C=C(C=C2)[N+]([O-])=O)=C1C#N
InChIKey
InChIKey=HDEOQMNVTWYBOP-UHFFFAOYSA-N
Formula
C21H19N5O5
Mass
421.413
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 3-pyridinecarbonitriles Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Methylpyridines Imidolactams Furans Heteroaromatic compounds Organic oxoazanium compounds Hydrazones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Nitriles Organic salts Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - 3-pyridinecarbonitrile - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Pyridine - Imidolactam - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Azacycle - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Hydrazone - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organopnictogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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