Compound Identification
SMILES
COCCNC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC1=CC=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=QLQZYZVSSJXNRS-GFCCVEGCSA-N
Formula
C19H20FN3O6
Mass
405.382
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 Phenylalkylamines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Amino acids and derivatives Carboxylic acid esters Secondary carboxylic acid amides Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - N-arylamide - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - 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