diethyl 2-[3-azanyl-1,5-bis(chloranyl)pentan-3-yl]-2-nitro-propanedioate

Systemtic Name: diethyl 2-[3-azanyl-1,5-bis(chloranyl)pentan-3-yl]-2-nitro-propanedioate Openeye Name: diethyl 2-[1-amino-3-chloro-1-(2-chloroethyl)propyl]-2-nitro-propanedioate CAS Name: 2-(3-amino-1,5-dichloropentan-3-yl)-2-nitropropanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-amino-1,5-dichloropentan-3-yl)-2-nitropropanedioate Traditional Name: 2-[1-amino-3-chloro-1-(2-chloroethyl)propyl]-2-nitro-malonic acid diethyl ester Formula: C12H20Cl2N2O6 MolecularWeight: 359.203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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