Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=CC(=C(Cl)C=C3)[N+]([O-])=O)SC=C12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HWCARXWLLWJQTR-UHFFFAOYSA-N
Formula
C22H14Cl2N4O6S
Mass
533.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
Thieno[3,4-d]pyridazines Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyridazinones Chlorobenzenes Aryl chlorides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Thieno[3,4-d]pyridazine - Thienopyridazine - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic zwitterion - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available