[3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate CAS Name: (2S)-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate Traditional Name: (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propionic acid [3-(nitrooxymethyl)phenyl] ester Formula: C29H27N3O9 MolecularWeight: 561.53938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC(C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)O[C@H](C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C29H27N3O9/c1-36-24-18-25(37-2)31-28(30-24)41-26(27(33)40-23-16-10-11-20(17-23)19-39-32(34)35)29(38-3,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-18,26H,19H2,1-3H3/t26-/m1/s1