Compound Identification
SMILES
COC1=C(C=C(C=C1)[N+]([O-])=O)S(=O)(=O)N=C1C=CC=CC1=C([O-])N1CCOCC1
InChIKey
InChIKey=LLGSNXFAVGLTLD-UHFFFAOYSA-M
Formula
C18H18N3O7S
Mass
420.42
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
Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Morpholines Sulfonyls Organosulfonic acids and derivatives Tertiary amines Ketene acetals Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Benzenesulfonamide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Morpholine - Oxazinane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic cation - Aromatic heteromonocyclic 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