Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=XAIBOWXFLAAZPF-UHFFFAOYSA-N
Formula
C17H14FN3O4S
Mass
375.37
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzothiazoles Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Thiazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organic oxoazanium compounds Organofluorides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Isothiourea - C-nitro compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available