(1S,6R)-6-(3-oxidanylidenepiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(3-oxidanylidenepiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(3-oxopiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(3-oxo-1-piperazinyl)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(3-oxopiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(3-ketopiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C12H15N2O4- MolecularWeight: 251.2585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c15-10-7-14(6-5-13-10)11(16)8-3-1-2-4-9(8)12(17)18/h1-2,8-9H,3-7H2,(H,13,15)(H,17,18)/p-1/t8-,9+/m1/s1