Compound Identification
SMILES
CCOP1(=O)N\C(NC2=C1C=C(Cl)C=C2C(N)=O)=C1\C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C
InChIKey
InChIKey=CYHDWFFJCYTAPH-KGWSMRRRSA-N
Formula
C24H34ClN4O5P
Mass
524.98
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
3-halobenzoic acids and derivatives
Alternative Parents
Pyrrolidine-3-ones Pyrrolidine-2-ones Phosphonic amide esters Phosphonic acid esters Aryl chlorides N-alkylpyrrolidines Vinylogous amides Tertiary carboxylic acid amides Primary carboxylic acid amides Lactams Ketene acetals Cyclic ketones Phosphacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Aryl chloride - Aryl halide - Phosphonic acid ester - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Phosphonic amide ester - N-alkylpyrrolidine - Organophosphonic acid derivative - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Cyclic ketone - Primary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Lactam - Azacycle - Phosphacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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