Compound Identification
SMILES
COC1=CC(OS(=O)(=O)C2=CC=C(COC3=C(Cl)C=C(C=C3)[N+]([O-])=O)C=C2)=CC=C1
InChIKey
InChIKey=ZGJOVOXMMMMQCB-UHFFFAOYSA-N
Formula
C20H16ClNO7S
Mass
449.86
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
Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organosulfonic acid esters Sulfonyls Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Benzenesulfonate ester - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Aryl chloride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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