Compound Identification
SMILES
CC1=CC(NC(NC2=CC=CC(C)=C2)=C(C(Cl)=C(Cl)Cl)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=PBADZNPZQVRIDH-UHFFFAOYSA-N
Formula
C18H16Cl3N3O2
Mass
412.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Secondary alkylarylamines C-nitro compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Chloroalkenes Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Secondary aliphatic/aromatic amine - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl chloride - Vinyl halide - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available