Compound Identification
SMILES
CC1=CC(CNC(=O)N2N\C(C=C2C2CC2)=C2\C=CC(NC(=O)C3=CC=CC=C3Cl)=CC2=O)=CC=C1
InChIKey
InChIKey=OPOFEADTVJCBEP-GYHWCHFESA-N
Formula
C28H25ClN4O3
Mass
500.98
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
Benzamides O-quinomethanes Benzoyl derivatives Toluenes Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Semicarbazides Pyrazolines Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - O-quinomethane - Quinomethane - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Vinylogous amide - Vinylogous halide - Semicarbazide - Pyrazoline - Secondary carboxylic acid amide - Cyclic ketone - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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