O2-ethyl O1,O3-dimethyl 2-cyano-1,3-bis(2,2-dimethylpropanoylamino)propane-1,2,3-tricarboxylate

Systemtic Name: O2-ethyl O1,O3-dimethyl 2-cyano-1,3-bis(2,2-dimethylpropanoylamino)propane-1,2,3-tricarboxylate Openeye Name: O2-ethyl O1,O3-dimethyl 2-cyano-1,3-bis(2,2-dimethylpropanoylamino)propane-1,2,3-tricarboxylate CAS Name: 2-cyano-1,3-bis[(2,2-dimethyl-1-oxopropyl)amino]propane-1,2,3-tricarboxylic acid O2-ethyl ester O1,O3-dimethyl ester IUPAC Name: 2-O-ethyl 1-O,3-O-dimethyl 2-cyano-1,3-bis(2,2-dimethylpropanoylamino)propane-1,2,3-tricarboxylate Traditional Name: 2-cyano-1,3-bis(pivaloylamino)propane-1,2,3-tricarboxylic acid O2-ethyl ester O1,O3-dimethyl ester Formula: C21H33N3O8 MolecularWeight: 455.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C(C(=O)OC)NC(=O)C(C)(C)C)C(C(=O)OC)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C#N)(C(C(=O)OC)NC(=O)C(C)(C)C)C(C(=O)OC)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H33N3O8/c1-10-32-18(29)21(11-22,12(14(25)30-8)23-16(27)19(2,3)4)13(15(26)31-9)24-17(28)20(5,6)7/h12-13H,10H2,1-9H3,(H,23,27)(H,24,28)