Compound Identification
SMILES
CC1=C(NC(C)(C)CO)C=CC(=C1C)[N+]([O-])=O
InChIKey
InChIKey=LTZQUGKOQGGZCJ-UHFFFAOYSA-N
Formula
C12H18N2O3
Mass
238.287
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 o-Xylenes Phenylalkylamines Nitroaromatic compounds 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
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - O-xylene - Xylene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organic zwitterion - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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