Compound Identification
SMILES
CNC(=O)CC1=CC=C(C=C1)C1=C(N2[C@H](C1)[C@@H]([C@@H](C)OC(=O)OCC1=CC=CC=C1[N+]([O-])=O)C2=O)C(=O)OCC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=HFTQFBSKIOIOHD-NIRRXFOQSA-N
Formula
C33H30N4O11
Mass
658.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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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
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Carbapenems Phenylpyrrolines Alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides Nitrobenzenes Nitroaromatic compounds Pyrroline carboxylic acids Azepines Carbonic acid diesters Pyrroles Tertiary carboxylic acid amides Enoate esters Azetidines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - 3-phenylpyrroline - Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Nitrobenzene - Nitroaromatic compound - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Pyrrole - Beta-lactam - Pyrroline - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid ester - Carbonic acid derivative - Lactam - Azetidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available