Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O)S2
InChIKey
InChIKey=CBRRCJFNXFCXKN-UHFFFAOYSA-N
Formula
C15H10ClN3O4S
Mass
363.77
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 Benzothiazoles Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - 1,3-benzothiazole - Benzamide - Nitroaromatic compound - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Thiazole - Vinylogous halide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - 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 heteropolycyclic 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