Compound Identification
SMILES
[Cl-].CCOC(=O)C[C@H]1CCC2=C(O1)C=CC(N)=C2
InChIKey
InChIKey=NKVYNTUKJVFRIA-RFVHGSKJSA-M
Formula
C13H17ClNO3
Mass
270.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Alkyl aryl ethers Benzenoids Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Alkyl aryl ether - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available