Compound Identification
SMILES
NC(N)=NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CCC1=CC=CC=N1)CC1CC1
InChIKey
InChIKey=JHFBGSMFMSIPCZ-UHFFFAOYSA-N
Formula
C22H28ClN5O3
Mass
445.95
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 Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Guanidines Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Guanidine - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic 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