Compound Identification
SMILES
CC(OC(=O)C1=CC=C(F)C=C1)C(=O)NC1=NC(=CS1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=HSEJVUWTLUZHKK-UHFFFAOYSA-N
Formula
C19H14FN3O5S
Mass
415.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Nitrobenzenes Nitroaromatic compounds N-arylamides Benzoyl derivatives 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Carboxylic acid ester - 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 - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available