Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC2=C(C=C(C#N)C(=O)NC3=CC=CC=C3Cl)C3=CC=CC=C3C=C2)C=C1
InChIKey
InChIKey=DBMPPZAUYCAPCO-UHFFFAOYSA-N
Formula
C27H18ClN3O4
Mass
483.91
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 Naphthalenes Anilides Nitrobenzenes N-arylamides Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Naphthalene - Nitrobenzene - Anilide - Phenol ether - N-arylamide - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxide - Cyanide - Organic oxygen compound - Organic salt - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Aromatic homopolycyclic 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