Compound Identification
SMILES
CC(=O)OC1OC(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(NC(=O)C(F)(F)F)C1OC(C)=O
InChIKey
InChIKey=KJYCQWGFGOHIQP-UHFFFAOYSA-N
Formula
C18H17F3N2O10
Mass
478.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Nitrobenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Tricarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Monosaccharides Tetrahydrofurans Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monosaccharide - Tetrahydrofuran - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available