Compound Identification
SMILES
CCCC(C)NCCNC(=O)C1=C(OC)C=C(Cl)C(=C1)C#N
InChIKey
InChIKey=JGJISCFJPJCWPK-UHFFFAOYSA-N
Formula
C16H22ClN3O2
Mass
323.82
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Benzonitriles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Nitriles Dialkylamines Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carbonitrile - Nitrile - Ether - Secondary aliphatic amine - Secondary amine - Carboxylic acid derivative - Organochloride - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available