Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C(=NN2C1=CC(Cl)=C(F)C=C1)C(O)=O
InChIKey
InChIKey=XPEKLSPPCAGBNN-UHFFFAOYSA-N
Formula
C16H10ClFN2O4
Mass
348.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
- Level 5 Cinnolines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Cinnolines
Alternative Parents
Anisoles Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Pyridazines and derivatives Aryl chlorides Aryl fluorides Vinylogous esters Vinylogous amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnoline - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnolines. These are organic aromatic compounds containing a benzene fused to a pyridazine ring.
External Descriptors
Not available