Compound Identification
SMILES
COC1=C(C(C)=C(Cl)C=C1C(C)=O)C1=CC(F)=C(C=C1)C(=O)N1CC(C1)C#N
InChIKey
InChIKey=FPVYPSQVFGJYPF-UHFFFAOYSA-N
Formula
C21H18ClFN2O3
Mass
400.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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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
Alkyl-phenylketones 2-halobenzoic acids and derivatives Acetophenones Benzamides Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Vinylogous halides Azetidines Azacyclic compounds Nitriles Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - Alkyl-phenylketone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Phenylketone - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Halobenzene - Toluene - Fluorobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Vinylogous halide - Azetidine - Carboxamide group - Ketone - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Organofluoride - Organochloride - Hydrocarbon derivative - Organohalogen 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