Compound Identification
SMILES
CC[C@@](CC1=CC=C(C=C1)[N+]([O-])=O)(NC(=O)C1=CC=CC=C1C(O)=O)C([O-])=O
InChIKey
InChIKey=KTTNTFLVZUIAQM-IBGZPJMESA-M
Formula
C19H17N2O7
Mass
385.353
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 7 Hippuric acids
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitro compound - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available