Compound Identification
SMILES
COC1=C(I)C=C(C=C1)C(=O)NC(=S)NNC(=O)COC1=C(Br)C=C(Br)C=C1
InChIKey
InChIKey=REPSELXTBSBJCY-UHFFFAOYSA-N
Formula
C17H14Br2IN3O4S
Mass
643.09
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
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Bromobenzenes Alkyl aryl ethers N-acyl amines Vinyl iodides Vinyl bromides Iodoalkenes Carboxylic acids and derivatives Bromoalkenes Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - N-acyl-amine - Iodoalkene - Bromoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl bromide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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