Compound Identification
SMILES
CC(C)(C)NNC1=NC=NC(NNC(=O)C2=CC=C(Cl)C=C2)=C1[N+]([O-])=O
InChIKey
InChIKey=GWIGNXWGRVMARB-UHFFFAOYSA-N
Formula
C15H18ClN7O3
Mass
379.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Alkylhydrazines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Alkylhydrazine - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available