Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NNC(=O)C2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=VKHUHCVQVBJICY-UHFFFAOYSA-N
Formula
C13H10BrN3O3
Mass
336.145
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
3-halobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Phenylhydrazines Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available