Compound Identification
SMILES
CC1=C(C)C(NC(=O)COC(=O)C2=CC=CC(=C2)C#N)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QSVRLEZKBJFVOZ-UHFFFAOYSA-N
Formula
C18H15N3O5
Mass
353.334
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
Anilides Nitrobenzenes Nitrotoluenes o-Xylenes Benzonitriles Benzoyl derivatives N-arylamides Nitroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Nitrobenzene - Anilide - Nitrotoluene - Nitroaromatic compound - Benzonitrile - Benzoyl - O-xylene - Xylene - N-arylamide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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