Compound Identification
SMILES
COC1=C(I)C=C(Cl)C=C1C(=O)NC1CN2CCC1CC2
InChIKey
InChIKey=CMTZEWBUSASFDG-UHFFFAOYSA-N
Formula
C15H18ClIN2O2
Mass
420.68
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
Benzamides Quinuclidines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Chlorobenzenes Alkyl aryl ethers Piperidines Aryl iodides Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Quinuclidine - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Piperidine - Aryl iodide - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic 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