methyl (1R,5S)-5-cyano-9-iodanyl-4,4-dimethyl-3-oxidanylidene-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylate

Systemtic Name: methyl (1R,5S)-5-cyano-9-iodanyl-4,4-dimethyl-3-oxidanylidene-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylate Openeye Name: methyl (1R,5S)-5-cyano-9-iodo-4,4-dimethyl-3-oxo-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylate CAS Name: (1R,5S)-5-cyano-9-iodo-4,4-dimethyl-3-oxo-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-cyano-9-iodo-4,4-dimethyl-3-oxo-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylate Traditional Name: (1R,5S)-5-cyano-9-iodo-3-keto-4,4-dimethyl-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylic acid methyl ester Formula: C12H13IN2O4 MolecularWeight: 376.14709

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OC2C(C1(C=CN2C(=O)OC)C#N)I)C

Isomeric SMILES

CC1(C(=O)O[C@@H]2C([C@]1(C=CN2C(=O)OC)C#N)I)C

InChI

InChI=1S/C12H13IN2O4/c1-11(2)9(16)19-8-7(13)12(11,6-14)4-5-15(8)10(17)18-3/h4-5,7-8H,1-3H3/t7?,8-,12+/m1/s1