Compound Identification
SMILES
CC(NC(=O)CCC1=CC=C(C=C1)C(F)(F)F)C1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=ZGWVGODNHPWOJW-UHFFFAOYSA-N
Formula
C19H17F3N2O5
Mass
410.349
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
Trifluoromethylbenzenes Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fatty amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Trifluoromethylbenzene - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fatty amide - Fatty acyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic 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