Compound Identification
SMILES
CC1=CC(C(=O)O[NH2+][C-](N)C2=CC=C(Br)C=C2)=C(C)C=C1
InChIKey
InChIKey=ZZKZVLRZNFTGJY-UHFFFAOYSA-N
Formula
C16H17BrN2O2
Mass
349.228
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
p-Xylenes Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acids and derivatives Organooxygen compounds Organobromides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - P-xylene - Xylene - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available