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

Systemtic Name: dimethyl 2-[(1S)-2-nitro-1-(4-nitrophenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-2-nitro-1-(4-nitrophenyl)ethyl]propanedioate CAS Name: 2-[(1S)-2-nitro-1-(4-nitrophenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-2-nitro-1-(4-nitrophenyl)ethyl]propanedioate Traditional Name: 2-[(1S)-2-nitro-1-(4-nitrophenyl)ethyl]malonic acid dimethyl ester Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N2O8/c1-22-12(16)11(13(17)23-2)10(7-14(18)19)8-3-5-9(6-4-8)15(20)21/h3-6,10-11H,7H2,1-2H3/t10-/m1/s1