Compound Identification
SMILES
CC(C)c1ccc(NC(=O)COc2ccc(\C=N/NC(=O)c3ccc(O)c(Cl)c3)c(C)c2)cc1
InChIKey
InChIKey=NMJUXOWGPXDMFM-MUXKCCDJSA-N
Formula
C26H26ClN3O4
Mass
479.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Anilides Cumenes Phenylpropanes Benzoyl derivatives N-arylamides O-chlorophenols Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Toluenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Cumene - Anilide - Phenylpropane - Benzoyl - Phenoxy compound - 2-halophenol - 2-chlorophenol - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Toluene - Aryl halide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic 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