Compound Identification
SMILES
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QGLSJERJMGXCDX-UHFFFAOYSA-N
Formula
C25H24N4O4S
Mass
476.55
Taxonomic Classification
Taxonomy Tree
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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
Aminobenzoic acids and derivatives Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Enamines Nitriles Organic zwitterions Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Organic oxoazanium - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Cyanide - Organic nitrogen compound - Organic zwitterion - Organic salt - 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