Compound Identification
SMILES
CNC(=S)C1(CCCCC1OC(=O)C1=CC=CC=C1)N1C=NC(=C1)[N+]([O-])=O
InChIKey
InChIKey=AZDKTCRDNZKNNE-UHFFFAOYSA-N
Formula
C18H20N4O4S
Mass
388.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Benzoyl derivatives Nitroimidazoles Nitroaromatic compounds Imidolactams N-substituted imidazoles Thioamides Heteroaromatic compounds Carboxylic acid esters Thiocarboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Nitroaromatic compound - Benzoyl - Nitroimidazole - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Thioamide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thiocarboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Thiocarbonyl group - Organic zwitterion - 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