(1S,6R)-6-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[(5-bromanylfuran-2-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[(5-bromo-2-furoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C13H12BrN2O5- MolecularWeight: 356.14878

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NNC(=O)C2=CC=C(O2)Br)C(=O)[O-]

InChI

InChI=1S/C13H13BrN2O5/c14-10-6-5-9(21-10)12(18)16-15-11(17)7-3-1-2-4-8(7)13(19)20/h1-2,5-8H,3-4H2,(H,15,17)(H,16,18)(H,19,20)/p-1/t7-,8+/m1/s1