[3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] 2-(isocyanatomethylamino)-2-oxidanylidene-ethanoate

Systemtic Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] 2-(isocyanatomethylamino)-2-oxidanylidene-ethanoate Openeye Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] 2-(isocyanatomethylamino)-2-oxo-acetate CAS Name: 2-(isocyanatomethylamino)-2-oxoacetic acid [3-[(isocyanatomethylamino)-oxomethoxy]-2,2-bis[[(isocyanatomethylamino)-oxomethoxy]methyl]propyl] ester IUPAC Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] 2-(isocyanatomethylamino)-2-oxoacetate Traditional Name: 2-(isocyanatomethylamino)-2-keto-acetic acid [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] ester Formula: C18H20N8O13 MolecularWeight: 556.3972

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Descriptors Computed from Structure

Canonical SMILES:

C(C(COC(=O)NCN=C=O)(COC(=O)NCN=C=O)COC(=O)NCN=C=O)OC(=O)C(=O)NCN=C=O

Isomeric SMILES

C(C(COC(=O)NCN=C=O)(COC(=O)NCN=C=O)COC(=O)NCN=C=O)OC(=O)C(=O)NCN=C=O

InChI

InChI=1S/C18H20N8O13/c27-9-19-5-23-13(31)14(32)36-1-18(2-37-15(33)24-6-20-10-28,3-38-16(34)25-7-21-11-29)4-39-17(35)26-8-22-12-30/h1-8H2,(H,23,31)(H,24,33)(H,25,34)(H,26,35)