Compound Identification
SMILES
CCN1C(=O)C(SC1=NC1=CC=CC(=C1)C(O)=O)=CC1=CC(Br)=C(OCC2=CC=CC=C2C#N)C(Br)=C1
InChIKey
InChIKey=QRVSQOOXKLNVED-UHFFFAOYSA-N
Formula
C27H19Br2N3O4S
Mass
641.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
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
Phenoxy compounds Phenol ethers Benzonitriles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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