Compound Identification
SMILES
COC1=C(C=C(N[C@H](NC(=O)C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XEFMJFJTBDGMJD-OAHLLOKOSA-N
Formula
C16H13Cl4N3O4
Mass
453.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
4-halobenzoic acids and derivatives Benzamides Methoxyanilines Anisoles Benzoyl derivatives Phenylalkylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Alkyl chlorides Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxyaniline - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Nitroaromatic compound - Phenylalkylamine - Methoxybenzene - Anisole - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic zwitterion - Alkyl chloride - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organohalogen compound - Organic oxide - Organochloride - 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