Compound Identification
SMILES
[O-]C(=O)N(CC=CC1CCN(CCC(CN2C=NC=N2)C2=CC=CC=C2)CC1)CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ORDNNSYZUPLKCA-UHFFFAOYSA-M
Formula
C28H33N6O4
Mass
517.611
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
Nitroaromatic compounds Aralkylamines Piperidines Triazoles Heteroaromatic compounds Trialkylamines Carbamic acids Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aralkylamine - Piperidine - Azole - 1,2,4-triazole - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic cation - 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