Compound Identification
SMILES
COC1=C(\C=C(/C#N)C(=O)NC[C@H]2CCCO2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XQSIUSQPHSFRIF-WEKMIXOTSA-N
Formula
C16H17N3O5
Mass
331.328
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 amides Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Oxolanes Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Nitriles Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxolane - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organic oxoazanium - Ether - Carbonitrile - Nitrile - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic zwitterion - 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