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

Systemtic Name: 3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl (4-nitrophenyl)methyl carbonate Openeye Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid 3,5-bis(3,5-dioxo-1-piperazinyl)pentyl (4-nitrophenyl)methyl ester IUPAC Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid 3,5-bis(3,5-diketopiperazino)pentyl (4-nitrobenzyl) ester Formula: C21H25N5O9 MolecularWeight: 491.4513

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)CN1CCC(CCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3CC(=O)NC(=O)C3

Isomeric SMILES

C1C(=O)NC(=O)CN1CCC(CCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3CC(=O)NC(=O)C3

InChI

InChI=1S/C21H25N5O9/c27-17-9-24(10-18(28)22-17)7-5-15(25-11-19(29)23-20(30)12-25)6-8-34-21(31)35-13-14-1-3-16(4-2-14)26(32)33/h1-4,15H,5-13H2,(H,22,27,28)(H,23,29,30)