Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=CC(=O)NC2=C(Cl)C=CC(=C2)S(=O)(=O)N2CCOCC2)=C(OC(F)F)C=C1
InChIKey
InChIKey=JNAIAGFVHDPYKT-UHFFFAOYSA-N
Formula
C20H18ClF2N3O7S
Mass
517.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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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 Nitrophenyl ethers Benzenesulfonamides Anilides Benzenesulfonyl compounds Styrenes Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Organosulfonamides Morpholines Sulfonyls Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Nitrophenyl ether - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Anilide - Nitroaromatic compound - Styrene - Phenol ether - N-arylamide - Phenoxy compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Oxazinane - Benzenoid - Morpholine - Aryl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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