2-(2-nitrooxyethoxy)ethyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: 2-(2-nitrooxyethoxy)ethyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: 2-(2-nitrooxyethoxy)ethyl (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 2-(2-nitrooxyethoxy)ethyl ester IUPAC Name: 2-(2-nitrooxyethoxy)ethyl (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 2-(2-nitrooxyethoxy)ethyl ester Formula: C26H29N3O10 MolecularWeight: 543.52256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O10/c1-33-21-18-22(34-2)28-25(27-21)39-23(24(30)37-16-14-36-15-17-38-29(31)32)26(35-3,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,23H,14-17H2,1-3H3/t23-/m1/s1