Compound Identification
SMILES
CCN1CC=C2[C@H](C1)[C@@H](C1=C(C=C(Cl)C=C1)[N+]([O-])=O)C(C#N)(C#N)C(N)=C2C#N
InChIKey
InChIKey=UESUBFIIKWYOTQ-FUHWJXTLSA-N
Formula
C20H17ClN6O2
Mass
408.85
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 Chlorobenzenes Aryl chlorides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Nitriles Organic oxoazanium compounds Hydrocarbon derivatives Monoalkylamines Organic zwitterions Organic salts Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxide - Cyanide - Organic salt - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic 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