diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitro-propanedioate

Systemtic Name: diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitro-propanedioate Openeye Name: diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitro-propanedioate CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioic acid diethyl ester IUPAC Name: diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-2-nitro-malonic acid diethyl ester Formula: C12H20Cl2N2O6 MolecularWeight: 359.203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(CCCl)CCCl)(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CN(CCCl)CCCl)(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C12H20Cl2N2O6/c1-3-21-10(17)12(16(19)20,11(18)22-4-2)9-15(7-5-13)8-6-14/h3-9H2,1-2H3