4-iodanyl-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-azabicyclo[3.2.1]octane-6-carboxylic acid

Systemtic Name: 4-iodanyl-7-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-azabicyclo[3.2.1]octane-6-carboxylic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-iodo-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylic acid CAS Name: 4-iodo-7-oxo-2-(phenylmethoxycarbonylamino)-6-azabicyclo[3.2.1]octane-6-carboxylic acid IUPAC Name: 4-iodo-7-oxo-2-(phenylmethoxycarbonylamino)-6-azabicyclo[3.2.1]octane-6-carboxylic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-iodo-7-keto-6-azabicyclo[3.2.1]octane-6-carboxylic acid Formula: C16H17IN2O5 MolecularWeight: 444.22105

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC(C1N(C2=O)C(=O)O)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2C(CC(C1N(C2=O)C(=O)O)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17IN2O5/c17-11-7-12(10-6-13(11)19(14(10)20)16(22)23)18-15(21)24-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,18,21)(H,22,23)