Compound Identification
SMILES
CCCCN(C)C1=NC=NC(NNC(=O)C2=CC=C(Br)C=C2)=C1[N+]([O-])=O
InChIKey
InChIKey=JOGQYSNFOLZOSW-UHFFFAOYSA-N
Formula
C16H19BrN6O3
Mass
423.271
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 Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Dialkylarylamine - Nitroaromatic compound - Halobenzene - Bromobenzene - Aminopyrimidine - Aryl bromide - Pyrimidine - Aryl halide - Imidolactam - Heteroaromatic compound - C-nitro compound - Carboxylic acid hydrazide - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - 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