Compound Identification
SMILES
COC1=CC=CC=C1\C(Br)=C(/C(=O)NC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1
InChIKey
InChIKey=KHXNDDIWJXGJLP-VXPUYCOJSA-N
Formula
C22H22BrN3O5
Mass
488.338
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
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 Anilides N-acylpiperidines Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Tertiary carboxylic acid amides Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Vinyl bromides Organic oxoazanium compounds Azacyclic compounds Bromoalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Nitrobenzene - N-acyl-piperidine - Anilide - N-arylamide - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Vinylogous halide - Tertiary carboxylic acid amide - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Bromoalkene - Ether - Haloalkene - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl bromide - Vinyl halide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - 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