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

Systemtic Name: [2-(1-acetyloxy-2-nitro-ethyl)-3-nitro-6-phenylmethoxy-phenyl] ethanoate Openeye Name: [2-(1-acetoxy-2-nitro-ethyl)-6-benzyloxy-3-nitro-phenyl] acetate CAS Name: acetic acid [2-(1-acetyloxy-2-nitroethyl)-3-nitro-6-phenylmethoxyphenyl] ester IUPAC Name: [2-(1-acetyloxy-2-nitroethyl)-3-nitro-6-phenylmethoxyphenyl] acetate Traditional Name: acetic acid [2-(1-acetoxy-2-nitro-ethyl)-6-benzoxy-3-nitro-phenyl] ester Formula: C19H18N2O9 MolecularWeight: 418.35422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O9/c1-12(22)29-17(10-20(24)25)18-15(21(26)27)8-9-16(19(18)30-13(2)23)28-11-14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3