methyl 1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: methyl 1-chloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-hydroxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid methyl ester Formula: C11H8ClNO3 MolecularWeight: 237.63912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

InChI

InChI=1S/C11H8ClNO3/c1-16-11(15)8-9(14)6-4-2-3-5-7(6)10(12)13-8/h2-5,14H,1H3