Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)N=CC1NC=CC=C1
InChIKey
InChIKey=OCFCHTNAVCWSFK-UHFFFAOYSA-N
Formula
C12H11N3O2
Mass
229.239
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 Dihydropyridines Shiff bases Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Dialkylamines Azacyclic compounds Allylamines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - C-nitro compound - Shiff base - Organic nitro compound - Allylamine - Azacycle - Secondary aliphatic amine - Enamine - Aldimine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic zwitterion - Organic oxygen compound - Imine - Organic nitrogen compound - Organic salt - Organic oxide - 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