Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(Br)=C2)=NC(=O)C1=C(Cl)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=RLQQSLJRNGTHQQ-UHFFFAOYSA-N
Formula
C17H13BrClN3O4S
Mass
470.72
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
Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organic oxoazanium compounds Organic salts Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Vinylogous halide - Isothiourea - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organic salt - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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