Compound Identification
SMILES
CC(=O)C1=CC(N=NC2=CC=C(C=C2)[N+]([O-])=O)=C(S1)N1CCOCC1
InChIKey
InChIKey=IZAKEMZDWFTLFW-UHFFFAOYSA-N
Formula
C16H16N4O4S
Mass
360.39
Taxonomic Classification
Taxonomy Tree
-
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
2,3,5-trisubstituted thiophenes Aryl alkyl ketones Dialkylarylamines Nitroaromatic compounds 2-aminothiophenes Morpholines Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Morpholine - Oxazinane - 2-aminothiophene - Thiophene - Heteroaromatic compound - Azo compound - Ketone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Dialkyl ether - Azacycle - Ether - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - Organic oxygen 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