Compound Identification
SMILES
[O-]C(=O)C1=CC=C(C=C1)C(=CC1=CC=C(Br)S1)C#N
InChIKey
InChIKey=KVTUILZKVBCHCF-UHFFFAOYSA-M
Formula
C14H7BrNO2S
Mass
333.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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
Not available
Direct Parent
Benzoic acids
Alternative Parents
Styrenes Benzoyl derivatives 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Carboxylic acid salts Nitriles Carboxylic acids Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Styrene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Thiophene - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available