Compound Identification
SMILES
CC(C)OC1=CC=C(\C=C(/NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)N2CCCCCC2)C=C1
InChIKey
InChIKey=QSRYYXWQZABKGP-KQWNVCNZSA-N
Formula
C25H29N3O5
Mass
451.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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 Alpha amino acid amides Cinnamic acids and derivatives Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzoyl derivatives Alkyl aryl ethers Azepanes Tertiary carboxylic acid amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Nitrobenzene - Phenoxy compound - Benzoyl - Phenol ether - Nitroaromatic compound - Azepane - Alkyl aryl ether - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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