Compound Identification
SMILES
CC1OC(Cl)CC(NC(=O)C(F)(F)F)C1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OTACEVQPAKEQEB-UHFFFAOYSA-N
Formula
C15H14ClF3N2O6
Mass
410.73
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
Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Oxane - Carboxamide group - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Alkyl chloride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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