methyl 1,6,7-tris(chloranyl)-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 1,6,7-tris(chloranyl)-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: methyl 1,6,7-trichloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 1,6,7-trichloro-4-hydroxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1,6,7-trichloro-4-hydroxyisoquinoline-3-carboxylate Traditional Name: 1,6,7-trichloro-4-hydroxy-isoquinoline-3-carboxylic acid methyl ester Formula: C11H6Cl3NO3 MolecularWeight: 306.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6Cl3NO3/c1-18-11(17)8-9(16)4-2-6(12)7(13)3-5(4)10(14)15-8/h2-3,16H,1H3