Compound Identification
SMILES
Cl.OC(=O)CC(CC1=NC(CCCC2=NC3=C(CCCN3)C=C2)=NO1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=UXUOHNQEPDEHRL-UHFFFAOYSA-N
Formula
C23H26ClN5O5
Mass
487.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Naphthyridines Nitrobenzenes Nitroaromatic compounds Pyridines and derivatives Imidolactams 1,2,4-oxadiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Hydrochlorides Organic zwitterions Amines Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Naphthyridine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Hydrochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available