methyl (1S,5R)-2-but-3-enyl-9-iodanyl-3-oxidanylidene-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylate

Systemtic Name: methyl (1S,5R)-2-but-3-enyl-9-iodanyl-3-oxidanylidene-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylate Openeye Name: methyl (1S,5R)-2-but-3-enyl-9-iodo-3-oxo-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylate CAS Name: (1S,5R)-2-but-3-enyl-9-iodo-3-oxo-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-2-but-3-enyl-9-iodo-3-oxo-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylate Traditional Name: (1S,5R)-2-but-3-enyl-9-iodo-3-keto-4-oxa-6-azabicyclo[3.3.1]non-7-ene-6-carboxylic acid methyl ester Formula: C13H16INO4 MolecularWeight: 377.17491

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2C(C(=O)OC1C2I)CCC=C

Isomeric SMILES

COC(=O)N1C=C[C@H]2C(C(=O)O[C@@H]1C2I)CCC=C

InChI

InChI=1S/C13H16INO4/c1-3-4-5-9-8-6-7-15(13(17)18-2)11(10(8)14)19-12(9)16/h3,6-11H,1,4-5H2,2H3/t8-,9?,10?,11+/m0/s1