diethyl 2-acetamido-2-[[2-(2-diethoxyphosphorylethyl)-5-nitro-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[2-(2-diethoxyphosphorylethyl)-5-nitro-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(2-diethoxyphosphorylethyl)-5-nitro-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(2-diethoxyphosphorylethyl)-5-nitrophenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(2-diethoxyphosphorylethyl)-5-nitrophenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-diethoxyphosphorylethyl)-5-nitro-benzyl]malonic acid diethyl ester Formula: C22H33N2O10P MolecularWeight: 516.478581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])CCP(=O)(OCC)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])CCP(=O)(OCC)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H33N2O10P/c1-6-31-20(26)22(23-16(5)25,21(27)32-7-2)15-18-14-19(24(28)29)11-10-17(18)12-13-35(30,33-8-3)34-9-4/h10-11,14H,6-9,12-13,15H2,1-5H3,(H,23,25)