ethyl (2R,3S)-2-acetyloxy-3-(2-methoxy-4-methyl-phenoxy)-3-(4-nitrophenyl)propanoate

Systemtic Name: ethyl (2R,3S)-2-acetyloxy-3-(2-methoxy-4-methyl-phenoxy)-3-(4-nitrophenyl)propanoate Openeye Name: ethyl (2R,3S)-2-acetoxy-3-(2-methoxy-4-methyl-phenoxy)-3-(4-nitrophenyl)propanoate CAS Name: (2R,3S)-2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-2-acetoxy-3-(2-methoxy-4-methyl-phenoxy)-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C)OC)OC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C)OC)OC(=O)C

InChI

InChI=1S/C21H23NO8/c1-5-28-21(24)20(29-14(3)23)19(15-7-9-16(10-8-15)22(25)26)30-17-11-6-13(2)12-18(17)27-4/h6-12,19-20H,5H2,1-4H3/t19-,20+/m0/s1