diethyl 2-[2-nitro-1-(4-nitrophenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-nitro-1-(4-nitrophenyl)ethyl]propanedioate Openeye Name: diethyl 2-[2-nitro-1-(4-nitrophenyl)ethyl]propanedioate CAS Name: 2-[2-nitro-1-(4-nitrophenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-nitro-1-(4-nitrophenyl)ethyl]propanedioate Traditional Name: 2-[2-nitro-1-(4-nitrophenyl)ethyl]malonic acid diethyl ester Formula: C15H18N2O8 MolecularWeight: 354.31202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H18N2O8/c1-3-24-14(18)13(15(19)25-4-2)12(9-16(20)21)10-5-7-11(8-6-10)17(22)23/h5-8,12-13H,3-4,9H2,1-2H3