Compound Identification
SMILES
COC1=C(NC(=O)C(C)OC(=O)C2=CC3=C(CCCC3)S2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZNXFYXWAARIKBL-UHFFFAOYSA-N
Formula
C19H20N2O6S
Mass
404.44
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
Anilides Methoxyanilines Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Phenoxy compounds Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - 2,3,5-trisubstituted thiophene - N-arylamide - Methoxybenzene - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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