Compound Identification
SMILES
OCCNC1=C(C=C(CO)C=C1)[N+]([O-])=O
InChIKey
InChIKey=HOHROYDXEIEQRW-UHFFFAOYSA-N
Formula
C9H12N2O4
Mass
212.205
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
Phenylalkylamines Nitroaromatic compounds Benzyl alcohols Aniline and substituted anilines Secondary alkylarylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Benzyl alcohol - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Organic nitro compound - 1,2-aminoalcohol - C-nitro compound - Alkanolamine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Aromatic alcohol - Organic zwitterion - Hydrocarbon derivative - Amine - 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