Compound Identification
SMILES
COC1=CC=CC=C1\C(Br)=C(/NC(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1
InChIKey
InChIKey=ONTXMSXJUJNFRX-FMQUCBEESA-N
Formula
C22H22BrN3O6
Mass
504.337
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
-
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
Alpha amino acid amides N-acylpiperidines Nitrobenzenes Anisoles Methoxybenzenes Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Vinylogous halides Tertiary carboxylic acid amides Carbamate esters Propargyl-type 1,3-dipolar organic compounds Vinyl bromides Bromoalkenes Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Coumaric acid or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Bromoalkene - Vinyl halide - Haloalkene - Organic oxoazanium - Organoheterocyclic compound - Vinyl bromide - Organic salt - Organohalogen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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