Compound Identification
SMILES
CC1=CC=CC=C1NC1=C(C=C(C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=HHYSAHHQICFGSN-UHFFFAOYSA-N
Formula
C14H11N3O2
Mass
253.261
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 Benzonitriles Aniline and substituted anilines Aminotoluenes Primary aromatic amines Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Benzonitrile - Nitroaromatic compound - Aniline or substituted anilines - Aminotoluene - Toluene - Primary aromatic amine - C-nitro compound - Organic nitro compound - Carbonitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Nitrile - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic salt - Organic cation - Aromatic homomonocyclic 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