Compound Identification
SMILES
CC1=NN(C(NC(=O)C(=CC2=CC(Cl)=CC(=C2O)[N+]([O-])=O)C#N)=C1)C1=CC=CC=C1
InChIKey
InChIKey=VFKGPFGMIPYAGU-UHFFFAOYSA-N
Formula
C20H14ClN5O4
Mass
423.81
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
-
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 Phenylpyrazoles Nitrophenols Nitrobenzenes P-chlorophenols N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Phenylpyrazole - Nitrophenol - Nitrobenzene - Nitroaromatic compound - 4-chlorophenol - 4-halophenol - N-arylamide - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Cyanide - Organic salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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