Compound Identification
SMILES
CCOC(=O)C(CC1=CNC2C=CC=CC12)NC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ROONXJBTUSZQSK-UHFFFAOYSA-N
Formula
C20H21N3O5
Mass
383.404
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Indoles and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fatty acid esters Pyrrolines Secondary carboxylic acid amides Carboxylic acid esters Allylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Enamines Monocarboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fatty acid ester - Fatty acyl - Pyrroline - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allylamine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Carbonyl group - Organic salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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