Compound Identification
SMILES
COC(=O)C(=C\C1=CC(OC)=C(OCCCl)C=C1)\N=[N+]=[N-]
InChIKey
InChIKey=NBTACDFGUOSNDM-YFHOEESVSA-N
Formula
C13H14ClN3O4
Mass
311.72
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
Cinnamic acid esters Alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Enoate esters Methyl esters Azo compounds Azo imides Monocarboxylic acids and derivatives Carbonyl compounds Alkyl chlorides Organochlorides Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Azo compound - Azo imide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Organic salt - Organochloride - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Organohalogen compound - Organic cation - Aromatic homomonocyclic 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