Compound Identification
SMILES
CC1=CC(C)=NC(NC(NC2=CC=CC=C2Br)=NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=YKSINUJOFBCULR-UHFFFAOYSA-N
Formula
C20H16BrClN6O3
Mass
503.74
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
2-halobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Acylguanidines Bromobenzenes Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Aryl bromides Heteroaromatic compounds Vinylogous halides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Acylguanidine - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Pyrimidine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - C-nitro compound - Guanidine - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic zwitterion - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available