Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(C=C1)C(=O)NC(=S)NNC(=O)C1=CC=NC=C1
InChIKey
InChIKey=KVKDRIQFGIZNIG-UHFFFAOYSA-N
Formula
C14H10ClN5O4S
Mass
379.78
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
Pyridinecarboxamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organochlorides Organooxygen compounds Organic salts Organosulfur compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Nitrobenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Benzoyl - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Thiosemicarbazide - Vinylogous halide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Aromatic heteromonocyclic 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