Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC(=O)CSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2CC=C)C=C1
InChIKey
InChIKey=NXUDVARHODJXBM-UHFFFAOYSA-N
Formula
C22H21FN6O4S
Mass
484.51
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
Anilides Benzamides Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Fluorobenzenes Aryl fluorides Triazoles Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Sulfenyl compounds Organofluorides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - N-arylamide - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - 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