Compound Identification
SMILES
COC(=O)C1=CC(N=NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=C(S1)N1CCOCC1
InChIKey
InChIKey=ZXHVKQNZEKFJCB-UHFFFAOYSA-N
Formula
C16H15N5O7S
Mass
421.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Dialkylarylamines Nitroaromatic compounds 2-aminothiophenes Morpholines Heteroaromatic compounds Methyl esters Azo compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Morpholine - Oxazinane - 2-aminothiophene - Heteroaromatic compound - Thiophene - Methyl ester - Organic nitro compound - Azo compound - Carboxylic acid ester - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic salt - Organic oxide - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available