methyl 7-(iodanylmethyl)-8-oxidanylidene-5,6-dihydroisoquinoline-7-carboxylate

Systemtic Name: methyl 7-(iodanylmethyl)-8-oxidanylidene-5,6-dihydroisoquinoline-7-carboxylate Openeye Name: methyl 7-(iodomethyl)-8-oxo-5,6-dihydroisoquinoline-7-carboxylate CAS Name: 7-(iodomethyl)-8-oxo-5,6-dihydroisoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 7-(iodomethyl)-8-oxo-5,6-dihydroisoquinoline-7-carboxylate Traditional Name: 7-(iodomethyl)-8-keto-5,6-dihydroisoquinoline-7-carboxylic acid methyl ester Formula: C12H12INO3 MolecularWeight: 345.13305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC2=C(C1=O)C=NC=C2)CI

Isomeric SMILES

COC(=O)C1(CCC2=C(C1=O)C=NC=C2)CI

InChI

InChI=1S/C12H12INO3/c1-17-11(16)12(7-13)4-2-8-3-5-14-6-9(8)10(12)15/h3,5-6H,2,4,7H2,1H3