Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CSC(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=XYRKUZDIHVRGOI-UHFFFAOYSA-N
Formula
C17H12ClN3O4S
Mass
389.81
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 Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds 2,4-disubstituted thiazoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Vinylogous halide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - 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