bis[(2,6-dinitrophenyl)methyl] piperazine-1,2-dicarboxylate

Systemtic Name: bis[(2,6-dinitrophenyl)methyl] piperazine-1,2-dicarboxylate Openeye Name: bis[(2,6-dinitrophenyl)methyl] piperazine-1,2-dicarboxylate CAS Name: piperazine-1,2-dicarboxylic acid bis[(2,6-dinitrophenyl)methyl] ester IUPAC Name: bis[(2,6-dinitrophenyl)methyl] piperazine-1,2-dicarboxylate Traditional Name: piperazine-1,2-dicarboxylic acid bis(2,6-dinitrobenzyl) ester Formula: C20H18N6O12 MolecularWeight: 534.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1)C(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O12/c27-19(37-10-12-14(23(29)30)3-1-4-15(12)24(31)32)18-9-21-7-8-22(18)20(28)38-11-13-16(25(33)34)5-2-6-17(13)26(35)36/h1-6,18,21H,7-11H2