Compound Identification
SMILES
OC(=O)CC(N1C=NC(=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=FQKKROJQSFWZJH-UHFFFAOYSA-N
Formula
C12H11N3O4
Mass
261.237
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
Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Nitroimidazoles Benzene and substituted derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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