Compound Identification
SMILES
NC1=C(C(NNC(=O)CNC(=O)C2=CC=CC=C2C(F)(F)F)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=HQSJWEZIMAXKMS-UHFFFAOYSA-N
Formula
C14H12F3N7O4
Mass
399.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
-
Level 5
Benzamides
-
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 Trifluoromethylbenzenes Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organofluorides Hydrocarbon derivatives Primary amines Alkyl fluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Nitroaromatic compound - Benzoyl - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxamide group - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Amine - Organic oxygen compound - Organic salt - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aromatic heteromonocyclic 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