Compound Identification
SMILES
COC1=C(NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)C#N)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MWHYXBLAHVXLJU-UHFFFAOYSA-N
Formula
C25H20N4O8S
Mass
536.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Benzenesulfonate esters Nitrophenyl ethers Acetanilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Methoxyanilines N-acetylarylamines Phenoxy compounds Nitroaromatic compounds Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonic acid esters Acetamides Sulfonyls Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Carbonyl compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Nitrophenyl ether - Benzenesulfonate ester - Benzenesulfonate - Acetanilide - Nitrobenzene - Anilide - Methoxyaniline - Benzenesulfonyl group - N-acetylarylamine - Arylsulfonic acid or derivatives - Methoxybenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid ester - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Nitrile - Carbonitrile - Organic zwitterion - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available