Compound Identification
SMILES
CC1=CC2=C(O\C(N2)=C2/C=CC(NC(=S)NC(=O)C3=CC=CC=C3Br)=CC2=O)C=C1
InChIKey
InChIKey=JMYXPCLMLMJIPR-RCCKNPSSSA-N
Formula
C22H16BrN3O3S
Mass
482.35
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
Benzoxazolines Benzoyl derivatives O-quinomethanes Bromobenzenes Aryl bromides Vinylogous halides Vinylogous amides Vinylogous esters Thioureas Ketene acetals Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoxazoline - Benzoyl - Quinomethane - O-quinomethane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous ester - Vinylogous amide - Vinylogous halide - Ketene acetal or derivatives - Ketone - Cyclic ketone - Thiourea - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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