diethyl 2-(2-methylpropoxy)-2-[[2-(2-methylpropoxycarbonyl)-3,5-dinitro-phenyl]amino]propanedioate

Systemtic Name: diethyl 2-(2-methylpropoxy)-2-[[2-(2-methylpropoxycarbonyl)-3,5-dinitro-phenyl]amino]propanedioate Openeye Name: diethyl 2-isobutoxy-2-(2-isobutoxycarbonyl-3,5-dinitro-anilino)propanedioate CAS Name: 2-(2-methylpropoxy)-2-[2-[2-methylpropoxy(oxo)methyl]-3,5-dinitroanilino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-methylpropoxy)-2-[2-(2-methylpropoxycarbonyl)-3,5-dinitroanilino]propanedioate Traditional Name: 2-isobutoxy-2-(2-isobutoxycarbonyl-3,5-dinitro-anilino)malonic acid diethyl ester Formula: C22H31N3O11 MolecularWeight: 513.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC1=CC(=CC(=C1C(=O)OCC(C)C)[N+](=O)[O-])[N+](=O)[O-])OCC(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC1=CC(=CC(=C1C(=O)OCC(C)C)[N+](=O)[O-])[N+](=O)[O-])OCC(C)C

InChI

InChI=1S/C22H31N3O11/c1-7-33-20(27)22(21(28)34-8-2,36-12-14(5)6)23-16-9-15(24(29)30)10-17(25(31)32)18(16)19(26)35-11-13(3)4/h9-10,13-14,23H,7-8,11-12H2,1-6H3