Compound Identification
SMILES
CC1=CC=C(N[C@@H](CCOC(=O)C2=CC=C(O2)[N+]([O-])=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=JIDSTNVLAUGPMF-SFHVURJKSA-N
Formula
C21H20N2O5
Mass
380.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furans
-
Subclass
Furoic acid and derivatives
- Level 5 Furoic acid esters
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Subclass
Furoic acid and derivatives
-
Class
Furans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acid esters
Alternative Parents
Phenylalkylamines Aminotoluenes Aniline and substituted anilines Nitrofurans Nitroaromatic compounds Secondary alkylarylamines Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid ester - Nitroaromatic compound - 2-nitrofuran - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Amine - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
External Descriptors
Not available