Compound Identification
SMILES
CCC[NH+]1CC(=CC2=CC(=CC=C2)[N+]([O-])=O)C(=O)C(C1)=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=BYMKRWHYWQDRHG-UHFFFAOYSA-O
Formula
C22H22N3O5
Mass
408.433
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 Piperidinones Quaternary ammonium salts Trialkylamines Cyclic ketones Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Piperidinone - Piperidine - Quaternary ammonium salt - Ketone - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Organic nitro compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - 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