Compound Identification
SMILES
CC1N(C)C(=NC(C2=CC(=CC=C2)[N+]([O-])=O)=C1C(O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DDILDQAAOYJTSD-UHFFFAOYSA-N
Formula
C19H16ClN3O4
Mass
385.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Hydropyrimidine carboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Imidolactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Organic nitro compound - C-nitro compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Organic oxide - Organic salt - Carbonyl group - Amine - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available