Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N\N=C\C2=CC=CN2C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XJCWJVXWGWGZCU-OMTYBJBPSA-N
Formula
C27H20N6O6
Mass
524.493
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
N-acyl-alpha amino acids and derivatives Cinnamic acids and derivatives Phenylpyrroles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - 1-phenylpyrrole - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - 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