[5-oxidanyl-3,6-bis(oxidanylidene)piperazin-2-yl] 2-azanyl-3-phenyl-propanoate

Systemtic Name: [5-oxidanyl-3,6-bis(oxidanylidene)piperazin-2-yl] 2-azanyl-3-phenyl-propanoate Openeye Name: (5-hydroxy-3,6-dioxo-piperazin-2-yl) 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid (5-hydroxy-3,6-dioxo-2-piperazinyl) ester IUPAC Name: (5-hydroxy-3,6-dioxopiperazin-2-yl) 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid (5-hydroxy-3,6-diketo-piperazin-2-yl) ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2C(=O)NC(C(=O)N2)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2C(=O)NC(C(=O)N2)O)N

InChI

InChI=1S/C13H15N3O5/c14-8(6-7-4-2-1-3-5-7)13(20)21-12-11(19)15-9(17)10(18)16-12/h1-5,8-9,12,17H,6,14H2,(H,15,19)(H,16,18)