Compound Identification
SMILES
CCC(CC)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=BKFOUTKVGJFRII-UHFFFAOYSA-N
Formula
C17H20N2O5S
Mass
364.42
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
Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - 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