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

Systemtic Name: ethyl 6-(iodanylmethyl)-5-oxidanylidene-7,8-dihydroisoquinoline-6-carboxylate Openeye Name: ethyl 6-(iodomethyl)-5-oxo-7,8-dihydroisoquinoline-6-carboxylate CAS Name: 6-(iodomethyl)-5-oxo-7,8-dihydroisoquinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(iodomethyl)-5-oxo-7,8-dihydroisoquinoline-6-carboxylate Traditional Name: 6-(iodomethyl)-5-keto-7,8-dihydroisoquinoline-6-carboxylic acid ethyl ester Formula: C13H14INO3 MolecularWeight: 359.15963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC2=C(C1=O)C=CN=C2)CI

Isomeric SMILES

CCOC(=O)C1(CCC2=C(C1=O)C=CN=C2)CI

InChI

InChI=1S/C13H14INO3/c1-2-18-12(17)13(8-14)5-3-9-7-15-6-4-10(9)11(13)16/h4,6-7H,2-3,5,8H2,1H3