(1S,2S)-2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[(5-bromo-2-furoyl)amino]carbamoyl]cyclohexanecarboxylate Formula: C13H14BrN2O5- MolecularWeight: 358.16466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)[O-]

InChI

InChI=1S/C13H15BrN2O5/c14-10-6-5-9(21-10)12(18)16-15-11(17)7-3-1-2-4-8(7)13(19)20/h5-8H,1-4H2,(H,15,17)(H,16,18)(H,19,20)/p-1/t7-,8-/m0/s1