Compound Identification
SMILES
CC1=CC(Cl)=C(C=C1)C(=O)O[NH+]=C(N)C1=CC=NC=C1
InChIKey
InChIKey=QJBCERXNUFUXNW-UHFFFAOYSA-O
Formula
C14H13ClN3O2
Mass
290.73
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
Benzoyl derivatives Toluenes Chlorobenzenes Pyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids and derivatives Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous halide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboximidamide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - 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