diethyl 2-[5-(4-ethoxycarbonylpiperazin-1-yl)-2,4-dinitro-phenyl]propanedioate

Systemtic Name: diethyl 2-[5-(4-ethoxycarbonylpiperazin-1-yl)-2,4-dinitro-phenyl]propanedioate Openeye Name: diethyl 2-[5-(4-ethoxycarbonylpiperazin-1-yl)-2,4-dinitro-phenyl]propanedioate CAS Name: 2-[5-(4-ethoxycarbonyl-1-piperazinyl)-2,4-dinitrophenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-(4-ethoxycarbonylpiperazin-1-yl)-2,4-dinitrophenyl]propanedioate Traditional Name: 2-[5-(4-carbethoxypiperazino)-2,4-dinitro-phenyl]malonic acid diethyl ester Formula: C20H26N4O10 MolecularWeight: 482.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CCN(CC2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H26N4O10/c1-4-32-18(25)17(19(26)33-5-2)13-11-15(16(24(30)31)12-14(13)23(28)29)21-7-9-22(10-8-21)20(27)34-6-3/h11-12,17H,4-10H2,1-3H3