Compound Identification
SMILES
OC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=QEOXMHCROOGSFT-INIZCTEOSA-N
Formula
C18H14N4O7
Mass
398.331
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
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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 Indolyl carboxylic acids and derivatives 3-alkylindoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Nitrobenzene - Indole or derivatives - Indole - Nitroaromatic compound - Benzoyl - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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