Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(Cl)C=C(Cl)C=C3)SC=C12)C1=CC=C(OC)C=C1
InChIKey
InChIKey=XCKJVLJMVPNZJN-UHFFFAOYSA-N
Formula
C23H17Cl2N3O5S
Mass
518.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
2-halobenzoic acids and derivatives Benzamides Methoxyanilines Thieno[3,4-d]pyridazines Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyridazinones Aryl chlorides Thiophenes Heteroaromatic compounds Vinylogous halides Vinylogous amides Lactams Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Methoxyaniline - Thienopyridazine - Thieno[3,4-d]pyridazine - Phenoxy compound - Anisole - Benzoyl - 1,3-dichlorobenzene - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Thiophene - Vinylogous amide - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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