Compound Identification
SMILES
CN(C)C1=C(C=C(\C=C2/SC3=CC=CC=C3C2=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KUEPMCMGFZVBFC-YBEGLDIGSA-N
Formula
C17H14N2O3S
Mass
326.37
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
Nitroaromatic compounds Dialkylarylamines Aryl thioethers Aryl ketones Aniline and substituted anilines Vinylogous thioesters Thioenol ethers Propargyl-type 1,3-dipolar organic compounds Organoheterocyclic compounds Organic oxoazanium compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Vinylogous thioester - Ketone - C-nitro compound - Organic nitro compound - Tertiary amine - Thioenolether - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic 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