Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C(C(C=NNC(=O)CSC2=CC=CC3=CC=CC=C23)=C1)[N+]([O-])=O
InChIKey
InChIKey=WJFFBICLMJSCJF-UHFFFAOYSA-N
Formula
C27H23N3O5S
Mass
501.56
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
Naphthalenes Methoxyanilines Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrophenyl ether - Naphthalene - Methoxyaniline - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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