Compound Identification
SMILES
CCC1=CC=CC=C1NC(=O)C(=CC1=CC=C(O1)C1=C(Cl)C=CC(=C1)C(O)=O)C#N
InChIKey
InChIKey=NOFYTBIGPPDSPX-UHFFFAOYSA-N
Formula
C23H17ClN2O4
Mass
420.85
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
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and 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
Halobenzoic acids
Alternative Parents
4-halobenzoic acids Anilides Benzoic acids Benzoyl derivatives N-arylamides Chlorobenzenes Aryl chlorides Furans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Nitriles Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halobenzoic acid - 4-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available