methyl (1R,3S)-3-(4-azido-3-iodanyl-phenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-3-(4-azido-3-iodanyl-phenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-3-(4-azido-3-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-3-[(4-azido-3-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-3-(4-azido-3-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H19IN4O4 MolecularWeight: 470.26163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CCC1C([C@H](C2)OC(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I)C(=O)OC

InChI

InChI=1S/C17H19IN4O4/c1-22-10-4-6-13(22)15(17(24)25-2)14(8-10)26-16(23)9-3-5-12(20-21-19)11(18)7-9/h3,5,7,10,13-15H,4,6,8H2,1-2H3/t10-,13?,14+,15?/m1/s1