dimethyl 2-[[(4-nitrophenyl)-propanoyloxy-methyl]-propanoyl-amino]propanedioate

Systemtic Name: dimethyl 2-[[(4-nitrophenyl)-propanoyloxy-methyl]-propanoyl-amino]propanedioate Openeye Name: dimethyl 2-[[(4-nitrophenyl)-propanoyloxy-methyl]-propanoyl-amino]propanedioate CAS Name: 2-[[(4-nitrophenyl)-(1-oxopropoxy)methyl]-(1-oxopropyl)amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(4-nitrophenyl)-propanoyloxymethyl]-propanoylamino]propanedioate Traditional Name: 2-[[(4-nitrophenyl)-propionyloxy-methyl]-propionyl-amino]malonic acid dimethyl ester Formula: C18H22N2O9 MolecularWeight: 410.37528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CC)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(=O)N(C(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CC)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N2O9/c1-5-13(21)19(15(17(23)27-3)18(24)28-4)16(29-14(22)6-2)11-7-9-12(10-8-11)20(25)26/h7-10,15-16H,5-6H2,1-4H3