Compound Identification
SMILES
COS([O-])(=O)=O.COC1=CC(=C(NCCCN2C=C[N+](C)=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=OXMRVXJUZHETRA-UHFFFAOYSA-M
Formula
C15H22N4O7S
Mass
402.42
Taxonomic Classification
Taxonomy Tree
-
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
Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Alkyl aryl ethers Sulfuric acid monoesters N-substituted imidazoles Alkyl sulfates Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Not available
Substituents
Nitrophenyl ether - Methoxyaniline - Aminophenyl ether - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Sulfuric acid monoester - Sulfate-ester - N-substituted imidazole - Sulfuric acid ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Heteroaromatic compound - Imidazole - Azole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic oxygen compound - 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