Compound Identification
SMILES
CCN(C(=O)COC(=O)C1=CC(=C(NCCOC)C=C1)[N+]([O-])=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=HSFZRUPNBLNXTN-UHFFFAOYSA-N
Formula
C20H22FN3O6
Mass
419.409
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 Aminobenzoic acids and derivatives Nitrobenzenes Anilides Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives 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 - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Carboxamide group - Carboxylic acid ester - 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