Compound Identification
SMILES
COC1=CC(C=CC1=O)=C1NN=C(O1)SCC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LKAOEBOOKGPBIP-UHFFFAOYSA-N
Formula
C16H13N3O5S
Mass
359.36
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
P-quinomethanes Nitroaromatic compounds Monothioacetals Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - P-quinomethane - Quinomethane - Monothioacetal - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Hydrazone - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - 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