Compound Identification
SMILES
OCCCNCCN(CC1=CC(=CC=C1)[N+]([O-])=O)CC1=CC=CC(CN(CC2=CC(=CC=C2)[N+]([O-])=O)CC2=CC(=CC=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=MPJIBMOXDFIANN-UHFFFAOYSA-N
Formula
C33H37N7O7
Mass
643.701
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
6-substituted-2-pyridinylmethylamines Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Organic oxoazanium compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
6-substituted-2-pyridinylmethylamine - Nitrobenzene - 2-pyridylmethylamine - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Pyridine - 1,3-aminoalcohol - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Alkanolamine - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Secondary aliphatic amine - Organic oxoazanium - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - 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