Compound Identification
SMILES
CCOC1=C(C=C(CN2C(C)=NC(=C2SCC(O)CCl)[N+]([O-])=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=DVGPCQZSISXALV-UHFFFAOYSA-N
Formula
C16H19ClN4O6S
Mass
430.86
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
1,2,4,5-tetrasubstituted imidazoles Phenoxy compounds Phenol ethers Nitroaromatic compounds Nitroimidazoles Alkyl aryl ethers Alkylarylthioethers Imidolactams N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Chlorohydrins Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - 1,2,4,5-tetrasubstituted imidazole - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Nitroimidazole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Chlorohydrin - Halohydrin - C-nitro compound - Organic nitro compound - Secondary alcohol - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organooxygen compound - Organosulfur compound - Alkyl halide - 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