Compound Identification
SMILES
CC(C)(CC1=CC=C(C=C1)C(O)=O)C(NC(=O)C1=CC(Cl)=CC=C1)NC1=C(NC2=CN=CC=C2)C(=O)C1=O
InChIKey
InChIKey=DAHINRBCOSMWQO-UHFFFAOYSA-N
Formula
C28H25ClN4O5
Mass
532.98
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
Benzamides Benzoic acids Phenylpropanes Benzoyl derivatives Aminopyridines and derivatives Chlorobenzenes Primary aromatic amines Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Cyclic ketones Azacyclic compounds Carboxylic acids Secondary amines Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoic acid - Phenylpropane - Benzoyl - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Pyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic 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