Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(NC(=O)COC(=O)C2=CC=CC=C2OCC2=CC=CC=C2)S1
InChIKey
InChIKey=ZVJXLFCNNNQIFO-UHFFFAOYSA-N
Formula
C19H15N3O6S
Mass
413.4
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
Phenoxy compounds Phenol ethers Nitrothiazoles Nitroaromatic compounds N-arylamides Benzoyl derivatives 2,5-disubstituted thiazoles Alkyl aryl ethers 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
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Nitroaromatic compound - N-arylamide - Phenol ether - Benzoyl - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Thiazole - Azole - Heteroaromatic compound - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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