Compound Identification
SMILES
Cl.OC(CN1CCCC1)C1=CC=CC=C1.OC(=O)\C=C\C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=HIHIDJQJWLWDLC-AUNBPGBOSA-N
Formula
C21H25ClN2O5
Mass
420.89
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
Nitrobenzenes Styrenes Nitroaromatic compounds Aralkylamines N-alkylpyrrolidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Organopnictogen compounds Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Cinnamic acid - Nitrobenzene - Nitroaromatic compound - Styrene - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Hydrochloride - Carbonyl group - Organic salt - Organic nitrogen compound - Aromatic alcohol - Alcohol - Organic zwitterion - Organopnictogen 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