Compound Identification
SMILES
CC1=CC=C(NC2=NC(NCC3=CC=C(Cl)C=C3)=NC(N)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=SXXRKEJECJVHAG-UHFFFAOYSA-N
Formula
C18H17ClN6O2
Mass
384.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aniline and substituted anilines Benzylamines Toluenes Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Organochlorides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Toluene - Imidolactam - Benzenoid - Aryl halide - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organochloride - Organonitrogen compound - Organohalogen compound - Amine - Organic nitrogen compound - Primary amine - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available