Compound Identification
SMILES
C[C@H](OC(=O)C1=CC=CC(=C1)C#N)C(=O)NC1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=VEWFXQMOLLVDQA-JTQLQIEISA-N
Formula
C18H12F3N3O5
Mass
407.305
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
Trifluoromethylbenzenes Anilides Nitrobenzenes Benzonitriles Benzoyl derivatives N-arylamides Nitroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic salts Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Trifluoromethylbenzene - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Benzonitrile - Benzoyl - C-nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Organic oxoazanium - Carboxylic acid derivative - Nitrile - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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