Compound Identification
SMILES
CO[C@@H]1CCCC[C@H]1NC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BQPPVWQNUGVMPC-CHWSQXEVSA-N
Formula
C13H18N2O3
Mass
250.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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 Aniline and substituted anilines Secondary alkylarylamines Cyclohexylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Cyclohexylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Secondary amine - Organic oxoazanium - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxide - 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