Compound Identification
SMILES
C[C@@H](NCC(CC1=CC=C(C=C1)[N+]([O-])=O)C#N)C1=CC=CC=C1
InChIKey
InChIKey=GKUYTCZWWWMZFP-IURRXHLWSA-N
Formula
C18H19N3O2
Mass
309.369
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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkylamines Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aralkylamine - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Cyanide - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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