Compound Identification
SMILES
CC(OC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O)C(=O)NC1=CC(=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=IDDHNFNJPULWTD-UHFFFAOYSA-N
Formula
C16H11ClFN3O7
Mass
411.73
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
4-halobenzoic acids and derivatives Benzoic acid esters Anilides Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - Nitrobenzene - Benzoyl - N-arylamide - Nitroaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl fluoride - C-nitro compound - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - 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