Compound Identification
SMILES
OC1=CC=C(C=C(C#N)C(=O)N2CCC(CC2)C2=NC(=CS2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=OYAUZFMYZRQTJY-UHFFFAOYSA-N
Formula
C24H19ClN4O4S
Mass
494.95
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
N-acylpiperidines Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Nitrobenzene - N-acyl-piperidine - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - C-nitro compound - Carboxamide group - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Nitrile - Carbonitrile - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen 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