Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C1=CSC(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=JEDHIXTWUWRCKS-UHFFFAOYSA-N
Formula
C19H16ClN3O4S
Mass
417.86
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Vinylogous halide - Thiazole - Heteroaromatic compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic salt - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available