Compound Identification
SMILES
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O)=C2C(=O)OCC
InChIKey
InChIKey=MWQRISZOPBMVND-UHFFFAOYSA-N
Formula
C20H20ClN3O7S
Mass
481.9
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
Thienopyridines Benzamides Nitrobenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Thienopyridine - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous amide - Carbamic acid ester - Thiophene - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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