O3-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester O1-methyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO8/c1-4-28-17-7-5-13(6-8-17)18(22)12(2)29-20(24)15-9-14(19(23)27-3)10-16(11-15)21(25)26/h5-12H,4H2,1-3H3/t12-/m0/s1