5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl (4-nitrophenyl)methyl carbonate

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl (4-nitrophenyl)methyl carbonate Openeye Name: 5-(3,5-dioxopiperazin-1-yl)pentyl (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid 5-(3,5-dioxo-1-piperazinyl)pentyl (4-nitrophenyl)methyl ester IUPAC Name: 5-(3,5-dioxopiperazin-1-yl)pentyl (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid 5-(3,5-diketopiperazino)pentyl (4-nitrobenzyl) ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)CN1CCCCCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC(=O)CN1CCCCCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c21-15-10-19(11-16(22)18-15)8-2-1-3-9-26-17(23)27-12-13-4-6-14(7-5-13)20(24)25/h4-7H,1-3,8-12H2,(H,18,21,22)