Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1N(CCC2=C1C=CS2)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GAFDVNOYZJMWOC-UHFFFAOYSA-N
Formula
C20H15ClN2O3S
Mass
398.86
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
4-halobenzoic acids and derivatives
Alternative Parents
Thienopyridines Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Pyridines and derivatives Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Thienopyridine - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic cation - 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