Compound Identification
SMILES
OC(=O)C1=CC=C(NC2=C(C(NNC(=O)C3=CC=C(Br)C=C3)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HWHPCDKQYYCLPM-UHFFFAOYSA-N
Formula
C18H13BrN6O5
Mass
473.243
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
Benzoic acids Aniline and substituted anilines Nitroaromatic compounds Benzoyl derivatives Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Imidolactams Heteroaromatic compounds Amino acids Carboxylic acid hydrazides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Halobenzene - Bromobenzene - Aryl bromide - Pyrimidine - Aryl halide - Imidolactam - Heteroaromatic compound - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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