Compound Identification
SMILES
CN1C(SC2=C1C(Cl)=CC=C2)=NC(=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=ZFQUSSOGRHVPOY-UHFFFAOYSA-N
Formula
C15H9Cl2N3O3S
Mass
382.22
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
Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thiazoles Isothioureas Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic salts Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Isothiourea - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - 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