Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC1=CC(C)=NN1C1=NC(=O)C2=C(CCC2)N1
InChIKey
InChIKey=LMCGATKSBUNYGW-UHFFFAOYSA-N
Formula
C19H18ClN5O3
Mass
399.84
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 Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Pyrimidones Aryl chlorides Heteroaromatic compounds Vinylogous amides Pyrazoles Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - 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