Compound Identification
SMILES
OC(=O)C(\SC1=CC=C(C=C1)[N+]([O-])=O)=C/C1=CC=C(C=C1)C#N
InChIKey
InChIKey=KGGMIXUTDBVMRM-OQLLNIDSSA-N
Formula
C16H10N2O4S
Mass
326.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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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 Aryl thioethers Benzonitriles Nitroaromatic compounds Thioenol ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Nitriles Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzonitrile - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Thioenolether - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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