Compound Identification
SMILES
[O-][N+](=O)C1=C(NCCN2CCCC2)C=CC(Cl)=C1
InChIKey
InChIKey=JTQFWSFNPUPNOU-UHFFFAOYSA-N
Formula
C12H16ClN3O2
Mass
269.73
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
Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organochloride - Organic oxide - Organohalogen compound - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic salt - 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