Compound Identification
SMILES
CC1=CC(NC(=O)CN(CCCN2CCOCC2)C(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)=NO1
InChIKey
InChIKey=SEVBEEKYIRFNMR-UHFFFAOYSA-N
Formula
C21H27N5O6
Mass
445.476
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 Nitroaromatic compounds N-arylamides Morpholines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
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 - Morpholine - Oxazinane - Azole - Isoxazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic nitrogen 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