Compound Identification
SMILES
CC1CC(C)(C)NC(CCC2CCCC2=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)O1
InChIKey
InChIKey=CKOSIFGCGRJXKJ-UHFFFAOYSA-N
Formula
C20H29N5O5
Mass
419.482
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
Phenylhydrazines Nitroaromatic compounds 1,3-oxazinanes Hemiaminals Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 1,3-oxazinane - Oxazinane - Hemiaminal - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Hydrazone - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - 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