[3-nitro-2-(2-nitro-1-oxidanyl-ethyl)-6-phenylmethoxy-phenyl] ethanoate

Systemtic Name: [3-nitro-2-(2-nitro-1-oxidanyl-ethyl)-6-phenylmethoxy-phenyl] ethanoate Openeye Name: [6-benzyloxy-2-(1-hydroxy-2-nitro-ethyl)-3-nitro-phenyl] acetate CAS Name: acetic acid [2-(1-hydroxy-2-nitroethyl)-3-nitro-6-phenylmethoxyphenyl] ester IUPAC Name: [2-(1-hydroxy-2-nitroethyl)-3-nitro-6-phenylmethoxyphenyl] acetate Traditional Name: acetic acid [6-benzoxy-2-(1-hydroxy-2-nitro-ethyl)-3-nitro-phenyl] ester Formula: C17H16N2O8 MolecularWeight: 376.31754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1C(C[N+](=O)[O-])O)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1C(C[N+](=O)[O-])O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O8/c1-11(20)27-17-15(26-10-12-5-3-2-4-6-12)8-7-13(19(24)25)16(17)14(21)9-18(22)23/h2-8,14,21H,9-10H2,1H3