Compound Identification
SMILES
COC1=CC=CC=C1\C(Br)=C(/NCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1
InChIKey
InChIKey=BOOWHKFUOZOZMQ-QZQOTICOSA-N
Formula
C22H24BrN3O4
Mass
474.355
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
-
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 Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Vinylogous halides Tertiary carboxylic acid amides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Bromoalkenes Dialkylamines Enamines Carbonyl compounds Organic salts Organobromides Hydrocarbon derivatives Organic oxides Organic cations
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 - Anisole - Benzylamine - Nitroaromatic compound - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - C-nitro compound - Carboxamide group - Amino acid or derivatives - Organic nitro compound - Secondary amine - Enamine - Bromoalkene - Propargyl-type 1,3-dipolar organic compound - Haloalkene - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Ether - Vinyl bromide - Vinyl halide - Carboxylic acid derivative - Hydrocarbon derivative - Organic salt - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - 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