Compound Identification
SMILES
COC1=C(NC2=NN=C(S2)C2=CC=C(C=C2)[N+]([O-])=O)C=C(C)C=C1
InChIKey
InChIKey=OWBJAZJGNFFGPZ-UHFFFAOYSA-N
Formula
C16H14N4O3S
Mass
342.37
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
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Toluenes 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Heteroaromatic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkyl aryl ether - Toluene - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Azacycle - Ether - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - 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