Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=NC3=CC=CC=C3S2)N=CN=C1NNC(=O)C1=CC=CC=C1F
InChIKey
InChIKey=APDVCUKXADHUQI-UHFFFAOYSA-N
Formula
C18H12FN7O3S
Mass
425.4
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
Benzothiazoles Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Fluorobenzenes 2-amino-1,3-thiazoles Aryl fluorides Imidolactams Vinylogous halides Heteroaromatic compounds Carboxylic acid hydrazides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Organic oxoazanium compounds Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Halobenzene - Fluorobenzene - Aminopyrimidine - 1,3-thiazol-2-amine - Aryl fluoride - Imidolactam - Pyrimidine - Aryl halide - Vinylogous halide - Thiazole - Azole - Heteroaromatic compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid hydrazide - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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