Compound Identification
SMILES
CC1=NON=C1OCCNCCNC1=C(Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NHHGMLMHEKPEIK-UHFFFAOYSA-N
Formula
C13H16ClN5O4
Mass
341.75
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 Nitroaromatic compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furazans Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Furazan - Oxadiazole - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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