Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NNC(=O)CCC(=O)C1=C(C)SC(C)=C1
InChIKey
InChIKey=MJYKDZDUXUZBIG-UHFFFAOYSA-N
Formula
C18H19ClN2O4S
Mass
394.87
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
3-halobenzoic acids and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles 2,3,5-trisubstituted thiophenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acid hydrazides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenol ether - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl chloride - Thiophene - Heteroaromatic compound - Carboxylic acid hydrazide - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - 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