dimethyl 2-[(E)-2-nitro-1-(2-nitrophenyl)ethenyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-2-nitro-1-(2-nitrophenyl)ethenyl]propanedioate Openeye Name: dimethyl 2-[(E)-2-nitro-1-(2-nitrophenyl)vinyl]propanedioate CAS Name: 2-[(E)-2-nitro-1-(2-nitrophenyl)ethenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-2-nitro-1-(2-nitrophenyl)ethenyl]propanedioate Traditional Name: 2-[(E)-2-nitro-1-(2-nitrophenyl)vinyl]malonic acid dimethyl ester Formula: C13H12N2O8 MolecularWeight: 324.24298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8/c1-22-12(16)11(13(17)23-2)9(7-14(18)19)8-5-3-4-6-10(8)15(20)21/h3-7,11H,1-2H3/b9-7-