Compound Identification
SMILES
NC1=C(C=C(C=C1)[N+]([O-])=O)C(=O)OCC(=O)NC1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=UXVWJQCBXYWINI-UHFFFAOYSA-N
Formula
C15H11ClFN3O5
Mass
367.72
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
Aminobenzoic acids and derivatives Benzoic acid esters Anilides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous amides Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Carbonyl compounds Primary amines Organic oxides Organic salts Organochlorides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Benzoyl - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl fluoride - Aryl chloride - Aryl halide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - C-nitro compound - Amino acid or derivatives - 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 - Organic oxoazanium - Organooxygen compound - Primary amine - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - 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