Compound Identification
SMILES
CC(C)(C(O)=O)C(=O)C(OC1=CC=C(C=C1)C1=CC=C(Cl)C=C1)N1C=CN=C1
InChIKey
InChIKey=GFEXBJXPKCKEKY-UHFFFAOYSA-N
Formula
C21H19ClN2O4
Mass
398.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
-
Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorinated biphenyls
Alternative Parents
Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Beta-keto acids and derivatives Chlorobenzenes Aryl chlorides Beta-hydroxy ketones N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - Phenoxy compound - Phenol ether - Imidazolyl carboxylic acid derivative - Beta-keto acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Beta-hydroxy ketone - N-substituted imidazole - Keto acid - Azole - Heteroaromatic compound - Imidazole - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available