Compound Identification
SMILES
CC1=CC(N)=C(C=C1NCCO)[N+]([O-])=O
InChIKey
InChIKey=LGZSBRSLVPLNTM-UHFFFAOYSA-N
Formula
C9H13N3O3
Mass
211.221
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
Nitrotoluenes Phenylalkylamines Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Primary aromatic amines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrotoluene - Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Toluene - Primary aromatic amine - Organic nitro compound - 1,2-aminoalcohol - C-nitro compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Alkanolamine - Organic nitrogen compound - Organic zwitterion - Organic salt - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - 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