Compound Identification
SMILES
COC1=CC(=C(NC(=O)CSCC(=O)NC2=CC=C(Cl)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FQOVCLLHACAHKO-UHFFFAOYSA-N
Formula
C17H16ClN3O5S
Mass
409.84
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 Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Sulfenyl compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Thioether - Sulfenyl compound - Organohalogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - 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