2-[(2S,5R)-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]ethanoate

Systemtic Name: 2-[(2S,5R)-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]ethanoate Openeye Name: 2-[(2S,5R)-5-benzyl-3,6-dioxo-piperazin-2-yl]acetate CAS Name: 2-[(2S,5R)-3,6-dioxo-5-(phenylmethyl)-2-piperazinyl]acetate IUPAC Name: 2-[(2S,5R)-5-benzyl-3,6-dioxopiperazin-2-yl]acetate Traditional Name: 2-[(2S,5R)-5-benzyl-3,6-diketo-piperazin-2-yl]acetate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N2)CC(=O)[O-]

InChI

InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/p-1/t9-,10+/m1/s1