Compound Identification
SMILES
C[C@H](OC1=C(C=C(Cl)C=C1)C(N)=O)C(=O)NC1=CC=C(C=C1)C#N
InChIKey
InChIKey=MNMUHSMXPIEJGD-JTQLQIEISA-N
Formula
C17H14ClN3O3
Mass
343.77
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
Anilides Benzamides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Benzonitriles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Primary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Anilide - Phenoxy compound - Benzonitrile - N-arylamide - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Nitrile - Ether - Carboxylic acid derivative - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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