[2-nitro-1-(2-nitrophenyl)-5-oxidanylidene-3-phenyl-hexyl] ethanoate

Systemtic Name: [2-nitro-1-(2-nitrophenyl)-5-oxidanylidene-3-phenyl-hexyl] ethanoate Openeye Name: [2-nitro-1-(2-nitrophenyl)-5-oxo-3-phenyl-hexyl] acetate CAS Name: acetic acid [2-nitro-1-(2-nitrophenyl)-5-oxo-3-phenylhexyl] ester IUPAC Name: [2-nitro-1-(2-nitrophenyl)-5-oxo-3-phenylhexyl] acetate Traditional Name: acetic acid [5-keto-2-nitro-1-(2-nitrophenyl)-3-phenyl-hexyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C(C2=CC=CC=C2[N+](=O)[O-])OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)C(C(C2=CC=CC=C2[N+](=O)[O-])OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13(23)12-17(15-8-4-3-5-9-15)19(22(27)28)20(29-14(2)24)16-10-6-7-11-18(16)21(25)26/h3-11,17,19-20H,12H2,1-2H3