Compound Identification
SMILES
COC1=CC(=C(NC(=S)NC(NC(C)=O)C(Cl)(Cl)Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=REKZREGUTSIEOZ-UHFFFAOYSA-N
Formula
C12H13Cl3N4O4S
Mass
415.67
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
-
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
N-phenylthioureas Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Acetamides Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Alkyl chlorides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - N-phenylthiourea - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Alkyl aryl ether - Acetamide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organosulfur compound - Alkyl chloride - Alkyl halide - Carbonyl group - Organic zwitterion - 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