Compound Identification
SMILES
COC(=O)C(NC(=O)C1=CC=C(F)C=C1)(NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=BMYFLUKWOYNMQI-UHFFFAOYSA-N
Formula
C18H12F4N4O5S
Mass
472.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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Subclass
Benzoic acids and derivatives
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives 4-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Fluorobenzenes Aryl fluorides Thiazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic zwitterions Organofluorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzoyl - Secondary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available