bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate

Systemtic Name: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate Openeye Name: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate CAS Name: 2-(cyanomethyl)piperazine-1,4-dicarboxylic acid bis(1-chloroethyl) ester IUPAC Name: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate Traditional Name: 2-(cyanomethyl)piperazine-1,4-dicarboxylic acid bis(1-chloroethyl) ester Formula: C12H17Cl2N3O4 MolecularWeight: 338.18708

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1CCN(C(C1)CC#N)C(=O)OC(C)Cl)Cl

Isomeric SMILES

CC(OC(=O)N1CCN(C(C1)CC#N)C(=O)OC(C)Cl)Cl

InChI

InChI=1S/C12H17Cl2N3O4/c1-8(13)20-11(18)16-5-6-17(10(7-16)3-4-15)12(19)21-9(2)14/h8-10H,3,5-7H2,1-2H3