Compound Identification
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)C(C#N)=C([S-])[S-])[N+]([O-])=O
InChIKey
InChIKey=XWDAUECAVRNWPU-UHFFFAOYSA-L
Formula
C14H8N2O3S2
Mass
316.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Methoxyanilines Nitroaromatic compounds Anisoles Alkyl aryl ethers Ketene acetals Organic oxoazanium compounds Nitriles Organosulfur compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-nitronaphthalene - Methoxyaniline - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Ketene acetal or derivatives - Organic nitro compound - C-nitro compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available