Compound Identification
SMILES
COC1=C(OC(F)F)C=CC(C=CC(=O)OCC(=O)NC2=C(C=C(C)C(C)=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=IMBPNIWMYGNMJX-UHFFFAOYSA-N
Formula
C21H20F2N2O7
Mass
450.395
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 esters Anilides Nitrotoluenes Nitrobenzenes o-Xylenes Styrenes Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Fatty acid esters Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Nitrobenzene - Nitrotoluene - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - O-xylene - Xylene - Methoxybenzene - Phenol ether - Styrene - N-arylamide - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alkyl halide - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Organic salt - Organonitrogen compound - 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