Compound Identification
SMILES
CC1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2Cl)=C(C)N1C1=CC(=CC(=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=BGXJDLQVGUXZJR-UHFFFAOYSA-N
Formula
C24H18ClN3O5
Mass
463.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
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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
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Phenylpyrroles Anilides Benzoic acids Benzoyl derivatives N-arylamides Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Nitriles Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta_phthalic_acid - 1-phenylpyrrole - Benzoic acid - Anilide - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available