Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)N(CC1CCCO1)CC(=O)NC1=NOC=C1)[N+]([O-])=O
InChIKey
InChIKey=GFAZXZBZHULUAT-UHFFFAOYSA-N
Formula
C18H20N4O6
Mass
388.38
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 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,N-dialkyl-p-toluamides Alpha amino acids and derivatives Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Oxolanes Secondary carboxylic acid amides Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-p-toluamide - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - N-arylamide - Toluene - Imidolactam - Azole - Isoxazole - Oxolane - Tertiary carboxylic acid amide - Heteroaromatic compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Dialkyl ether - Ether - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Carbonyl group - 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